SCHEMBL4944501

SCHEMBL4944501

COc1cccc(-n2c(CCC(=O)NCC(C)C)nnc2SCc2cc(C)cc(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 4/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.45
VCP P55072 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4943908 0.94 USP2 (0.47) USP2HPGDHSD17B10NPSR1CYP2D6
SCHEMBL4944941 0.90 TLR8 (0.45) HPGDNPSR1CYP2D6CYP2C19TSHR
SCHEMBL4944461 0.89 USP2 (0.46) USP2HPGDHSD17B10NPSR1CYP2D6
SCHEMBL4944226 0.89 ALDH1A1 (0.52) USP2HPGDHSD17B10NPSR1CYP2D6
SCHEMBL4946377 0.88 ALDH1A1 (0.47) USP2HPGDHSD17B10NPSR1CYP2D6
SCHEMBL4946333 0.87 HPGD (0.47) USP2HPGDHSD17B10NPSR1CYP2D6
SCHEMBL4942571 0.85 ALDH1A1 (0.46) USP2HPGDHSD17B10NPSR1CYP2D6
SCHEMBL4946575 0.84 TLR8 (0.47) HPGDNPSR1CYP2D6CYP2C19TSHR
SCHEMBL4947171 0.84 TSHR (0.48) USP2HPGDHSD17B10NPSR1CYP2D6
SCHEMBL4944477 0.84 ALDH1A1 (0.47) HPGDNPSR1CYP2D6CYP2C19TSHR

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
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US claimed
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 EP claimed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 US claimed
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO claimed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 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-20050187275-A1 Triazoles as oxytocin antagonists OXTR, AVPR2, AVPR1B USP2 3451/4885HPGD 561/4885HSD17B10 2082/4885

“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.