SCHEMBL10060132

SCHEMBL10060132

CCCN1CCCN2CCN(CCCN(CC(=O)O)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
S1PR1 P21453 1/20 0.38
SLC6A9 P48067 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL24177004 0.93 HSD17B10 (0.44) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL15499048 0.87 HSD17B10 (0.48) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL1142728 0.87 HSD17B10 (0.48) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL10060138 0.87 HSD17B10 (0.48) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL15499754 0.87 HSD17B10 (0.48) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL10317239 0.87 HSD17B10 (0.48) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL9119001 0.87 HSD17B10 (0.48) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL12018111 0.87 HSD17B10 (0.48) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL22661894 0.87 HSD17B10 (0.48) HSD17B10SIGMAR1SMN1; SMN2CYP1A2MAPK1
SCHEMBL16645315 0.86 HSD17B10 (0.41) HSD17B10SIGMAR1S1PR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393809-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 Heidelbert (DE) 2021-12-23 US disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
US-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-12 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 (2 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-20120009121-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 HSD17B10 2398/4885SIGMAR1 4119/4885SMN1; SMN2 4026/4885
US-20210393809-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PSMA-EXPRESSING CANCERS KLK3, PSMA3, FOLH1 HSD17B10 3146/4885SIGMAR1 939/4885SMN1; SMN2 3246/4885

“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.