SCHEMBL14680573

SCHEMBL14680573

CC(C)N1CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
SLC6A9 P48067 1/20 0.49
HSD17B10 Q99714 1/20 0.47
TACR1 P25103 2/20 0.39
CHRM1 P11229 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.37
NPC1 O15118 1/20 0.37
DAO P14920 1/20 0.37
S1PR1 P21453 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27275659 1.00 SIGMAR1 (0.49) SIGMAR1SLC6A9HSD17B10TACR1CHRM1
SCHEMBL2941954 1.00 SIGMAR1 (0.49) SIGMAR1SLC6A9HSD17B10TACR1CHRM1
SCHEMBL16657557 1.00 SIGMAR1 (0.49) SIGMAR1SLC6A9HSD17B10TACR1CHRM1
SCHEMBL14680382 1.00 SIGMAR1 (0.49) SIGMAR1SLC6A9HSD17B10TACR1CHRM1
Hydrochloric Acid SCHEMBL1373261 0.98 SIGMAR1 (0.47) SIGMAR1SLC6A9HSD17B10TACR1CHRM1
SCHEMBL25452990 0.92 SIGMAR1 (0.44) SIGMAR1SLC6A9HSD17B10TACR1DAO
SCHEMBL14680427 0.92 SIGMAR1 (0.44) SIGMAR1SLC6A9HSD17B10HRH3S1PR1
SCHEMBL21335347 0.92 SIGMAR1 (0.44) SIGMAR1SLC6A9HSD17B10TACR1DAO
SCHEMBL22871959 0.92 SIGMAR1 (0.59) SIGMAR1SLC6A9HSD17B10TACR1CHRM1
SCHEMBL14725157 0.92 SIGMAR1 (0.59) SIGMAR1SLC6A9HSD17B10TACR1CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712485-B2 Triazine based radiopharmaceuticals and radioimaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2023-08-01 US disclosed
WO-2023116856-A1 AROMATIC VINYL COMPOUND, METAL COMPLEX THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海再极医药科技有限公司 2023-06-29 WO disclosed
WO-2022269532-A1 TRIAZINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AND NEURODEGENERATIVE DISORDERS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2022-12-29 WO disclosed
US-20220017495-A1 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-01-20 US disclosed
US-20210338850-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2021-11-04 US disclosed
US-10981866-B2 Chemical conjugates of Evans Blue derivatives and their use as radiotherapy and imaging agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-04-20 US disclosed
US-20210008232-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS FOR TARGETING PROSTATE CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-14 US disclosed
US-20200231543-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-07-23 US disclosed
US-10696631-B2 Chemical conjugates of evans blue derivatives and their use as radiotherapy and imaging agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-30 US disclosed
US-20190134237-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2019-05-09 US disclosed
US-20190084931-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS US HEALTH 2019-03-21 US disclosed
US-10201624-B2 Triazine based radiopharmaceuticals and radioimaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
US-20170296683-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170296683-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9388144-B2 Radiolabeled prostate specific membrane antigen inhibitors MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150078998-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-03-19 US disclosed
US-8926944-B2 Radiolabeled prostate specific membrane antigen inhibitors MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-01-06 US disclosed
US-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS 2013-02-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190084931-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS H1-4, VIP, H1-3 SIGMAR1 1479/4885SLC6A9 1477/4885HSD17B10 3363/4885
US-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, PSMA1 SIGMAR1 3926/4885SLC6A9 2152/4885HSD17B10 2374/4885
US-20210338850-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS PSMA2, PSMA5, PSMA1 SIGMAR1 2691/4885SLC6A9 3892/4885HSD17B10 3488/4885
US-20150078998-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, PSMA2 SIGMAR1 3188/4885SLC6A9 2200/4885HSD17B10 1970/4885
US-11712485-B2 Triazine based radiopharmaceuticals and radioimaging agents PSMA2, PSMA5, PSMA1 SIGMAR1 2691/4885SLC6A9 3892/4885HSD17B10 3488/4885
US-20170296683-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS PSMA2, PSMA5, PSMA1 SIGMAR1 2691/4885SLC6A9 3892/4885HSD17B10 3488/4885
US-10981866-B2 Chemical conjugates of Evans Blue derivatives and their use as radiotherapy and imaging agents RABL3, H1-4, SSTR3 SIGMAR1 1083/4885SLC6A9 1357/4885HSD17B10 3981/4885
US-20210008232-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS FOR TARGETING PROSTATE CANCER KLK3, MAN2B2, BPHL SIGMAR1 2116/4885SLC6A9 1037/4885HSD17B10 3229/4885
US-20220017495-A1 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE NUCB2, RNPEP, MME SIGMAR1 4015/4885SLC6A9 1965/4885HSD17B10 2830/4885
US-10201624-B2 Triazine based radiopharmaceuticals and radioimaging agents PSMA5, PSMA2, PSMA1 SIGMAR1 3683/4885SLC6A9 4615/4885HSD17B10 2654/4885
US-20200231543-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS RABL3, H1-4, SSTR3 SIGMAR1 1083/4885SLC6A9 1357/4885HSD17B10 3981/4885
US-10696631-B2 Chemical conjugates of evans blue derivatives and their use as radiotherapy and imaging agents H1-4, VIP, H1-3 SIGMAR1 1479/4885SLC6A9 1477/4885HSD17B10 3363/4885
US-20190134237-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS PSMA2, PSMA5, PSMA1 SIGMAR1 2691/4885SLC6A9 3892/4885HSD17B10 3488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.