SCHEMBL4942601

SCHEMBL4942601

COCCCn1c(CCCCC(=O)NCc2ccccc2OC)nnc1SCc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 5/20 0.43
HTR7 P34969 2/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4937706 0.95 POLB (0.49) POLBHPGDRXFP1TP53TSHR
SCHEMBL4942955 0.94 POLB (0.52) POLBHPGDRXFP1HTR7TP53
SCHEMBL4940145 0.92 HPGD (0.52) POLBHPGDRXFP1HTR7TP53
SCHEMBL4945336 0.92 POLB (0.55) POLBHPGDRXFP1HTR7TP53
SCHEMBL4942558 0.92 POLB (0.51) POLBHPGDRXFP1HTR7TP53
SCHEMBL4938790 0.91 ALDH1A1 (0.45) POLBRXFP1TSHRSSTR1SSTR4
SCHEMBL4943744 0.90 POLB (0.53) POLBHPGDRXFP1HTR7TP53
SCHEMBL4944428 0.89 POLB (0.53) POLBHPGDRXFP1HTR7TP53
SCHEMBL4941427 0.88 MEN1 (0.47) POLBHPGDRXFP1HTR7TP53
SCHEMBL4944375 0.88 RXFP1 (0.50) POLBRXFP1TP53THRBLMNA

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 9 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
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 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.