SCHEMBL16645315

SCHEMBL16645315

CCN1CCCN2CCN(CCCN(CC(=O)O)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 2/20 0.39
CHRM1 P11229 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
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
SCHEMBL16837396 1.00 HSD17B10 (0.41) HSD17B10MEN1KMT2AHSD11B1CHRM1
SCHEMBL16645317 0.92 HSD17B10 (0.47) HSD17B10MEN1KMT2AHSD11B1CHRM1
SCHEMBL12018111 0.90 HSD17B10 (0.48) HSD17B10SIGMAR1KDM4EALDH1A1S1PR1
SCHEMBL1142728 0.90 HSD17B10 (0.48) HSD17B10SIGMAR1KDM4EALDH1A1S1PR1
SCHEMBL22661894 0.90 HSD17B10 (0.48) HSD17B10SIGMAR1KDM4EALDH1A1S1PR1
SCHEMBL10317239 0.90 HSD17B10 (0.48) HSD17B10SIGMAR1KDM4EALDH1A1S1PR1
SCHEMBL9119001 0.90 HSD17B10 (0.48) HSD17B10SIGMAR1KDM4EALDH1A1S1PR1
Hydrochloric Acid SCHEMBL10316899 0.88 HSD17B10 (0.47) HSD17B10SIGMAR1KDM4EALDH1A1S1PR1
SCHEMBL11360386 0.88 HSD17B10 (0.50) HSD17B10SIGMAR1ALDH1A1S1PR1
Hydrochloric Acid SCHEMBL10316965 0.86 HSD17B10 (0.48) HSD17B10SIGMAR1ALDH1A1S1PR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222617-B1 PSMA-TARGETING COMPOUNDS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-07-06 EP disclosed
WO-2020065045-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PSMA-EXPRESSING CANCERS Universität Heidelberg (DE) 2020-04-02 WO disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
EP-3222617-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF The Johns Hopkins University (US) 2017-09-27 EP disclosed
EP-2408755-B1 Urea-based peptide compounds useful for detecting inter alia prostate cancer UNIV JOHNS HOPKINS (US) 2017-05-03 EP disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 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 (1 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-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 HSD17B10 2398/4885MEN1 190/4885KMT2A 2318/4885

“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.