SCHEMBL4944375

SCHEMBL4944375

COCCCn1c(CCCCC(=O)NCc2ccc(F)cc2)nnc1SCc1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL4938790 0.94 ALDH1A1 (0.45) RXFP1L3MBTL1SSTR1SSTR4SSTR3
SCHEMBL4947194 0.93 RXFP1 (0.52) RXFP1L3MBTL1LMNAPOLBMAPT
SCHEMBL4942573 0.90 LMNA (0.48) RXFP1L3MBTL1TP53LMNASSTR4
SCHEMBL4942601 0.88 POLB (0.51) RXFP1TP53LMNASSTR1SSTR4
SCHEMBL4945055 0.86 MEN1 (0.53) RXFP1L3MBTL1TP53LMNAPOLB
SCHEMBL4946394 0.84 MAPT (0.49) TP53LMNASSTR1SSTR4SSTR3
SCHEMBL4942558 0.84 POLB (0.51) RXFP1TP53LMNASSTR4SSTR3
SCHEMBL4946913 0.84 LMNA (0.49) RXFP1L3MBTL1TP53LMNASSTR4
SCHEMBL8347974 0.84 TP53 (0.40) RXFP1L3MBTL1TP53LMNASSTR1
SCHEMBL4944428 0.84 POLB (0.53) RXFP1L3MBTL1TP53LMNAPOLB

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 8 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-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 RXFP1 95/4885L3MBTL1 4489/4885TP53 4351/4885

“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.