SCHEMBL4945336

SCHEMBL4945336

COCCCn1c(CCCCC(=O)NCc2ccccc2OC)nnc1SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
HPGD P15428 1/20 0.53
RXFP1 Q9HBX9 2/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4938852 0.95 POLB (0.52) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4944428 0.94 POLB (0.53) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4947233 0.93 HPGD (0.58) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4942601 0.92 POLB (0.51) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4942955 0.92 POLB (0.52) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4942558 0.92 POLB (0.51) POLBHPGDRXFP1THRBLMNA
SCHEMBL4944931 0.89 POLB (0.51) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4943744 0.89 POLB (0.53) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4945565 0.89 HPGD (0.54) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4942008 0.89 HPGD (0.54) POLBHPGDRXFP1MAPTTHRB

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 POLB 4439/4885HPGD 561/4885RXFP1 95/4885

“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.