SCHEMBL4129984

SCHEMBL4129984

Fc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CYP2D6 P10635 1/20 0.46
SCN9A Q15858 1/20 0.44
HRH1 P35367 1/20 0.43
OXTR P30559 4/20 0.41
AVPR1A P37288 3/20 0.41
SCN8A Q9UQD0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TACR1 P25103 1/20 0.39
AVPR2 P30518 1/20 0.39
OPRK1 P41145 1/20 0.39
GHSR Q92847 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL9450757 0.86 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3SCN9AOXTR
SCHEMBL3106903 0.84 RBP4 (0.55) SLC6A4SCN9A
SCHEMBL9354247 0.84 SLC6A4 (0.46) SLC6A4SCN9AOPRK1
Hydrochloric Acid SCHEMBL9358180 0.83 SLC6A4 (0.46) SLC6A4SCN9AOPRK1
SCHEMBL24188508 0.81 SLC6A4 (0.51) SLC6A4OXTRAVPR1ATACR1AVPR2
SCHEMBL3825759 0.80 SCN9A (0.48) SLC6A4SLC6A2SLC6A3CYP2D6SCN9A
SCHEMBL795699 0.77 ACHE (0.45) SCN9AMEN1KMT2AATMOPRK1
SCHEMBL9596400 0.77 SCN9A (0.46) SLC6A4SLC6A2SLC6A3CYP2D6SCN9A
SCHEMBL10810583 0.77 RBP4 (0.48) SCN9AOPRK1
SCHEMBL1740285 0.77 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CYP2D6SCN9A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2018-12-11 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
CN-101107243-A Substituted triazole derivatives as oxytocin antagonists PFIZER (GB) 2008-01-16 CN disclosed
EP-1841758-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-10-10 EP disclosed
WO-2006077496-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-07-27 WO disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
EP-0560905-A1 3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-1-AZETIDINE CARBOXAMIDES HAVING ANTICONVULSANT ACTIVITY. ROBINS CO INC A H (US) 1993-09-22 EP disclosed
WO-1992010474-A1 3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-1-AZETIDINE CARBOXAMIDES HAVING ANTICONVULSANT ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1992-06-25 WO disclosed
US-5095014-A 3-(2-chloro-4-(trifluoromethyl)phenoxy)-1-azetidine carboxamides having anticonvulsant activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-03-10 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 (4 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-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR SLC6A4 679/4885SLC6A2 570/4885SLC6A3 198/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR SLC6A4 679/4885SLC6A2 570/4885SLC6A3 198/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SLC6A4 679/4885SLC6A2 570/4885SLC6A3 198/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SLC6A4 679/4885SLC6A2 570/4885SLC6A3 198/4885

“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.