SCHEMBL4119970

SCHEMBL4119970

COc1cc(C#N)ccc1O[C@@H]1CCNC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTR2C P28335 10/20 0.47
HTR2B P41595 10/20 0.47
PDE4B Q07343 1/20 0.47
AR P10275 2/20 0.46
HTR1A P08908 1/20 0.44

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
SCHEMBL201799 0.86 PDE4B (0.52) SLC6A2SLC6A4SLC6A3PDE4BAR
Hydrochloric Acid SCHEMBL202832 0.84 PDE4B (0.51) SLC6A2SLC6A4SLC6A3PDE4BAR
SCHEMBL4229043 0.80 HTR2C (0.49) SLC6A2HTR2CHTR2BPDE4BHTR1A
SCHEMBL647645 0.79 AR (0.47) SLC6A2SLC6A4PDE4BAR
SCHEMBL646905 0.79 AR (0.47) SLC6A2SLC6A4PDE4BAR
SCHEMBL523941 0.79 PDE4D (0.52) SLC6A2SLC6A4PDE4BAR
SCHEMBL523610 0.78 HRH3 (0.61) AR
SCHEMBL8271831 0.77 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL9670802 0.77 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL8271827 0.77 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR2CHTR2B

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 25 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-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-9023872-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2015-05-05 US disclosed
US-9023872-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2015-05-05 US disclosed
US-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC. 2013-05-30 US disclosed
EP-1841758-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2009-11-18 EP disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 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
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 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 (6 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-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR SLC6A2 570/4885SLC6A4 679/4885SLC6A3 198/4885
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR SLC6A2 570/4885SLC6A4 679/4885SLC6A3 198/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR SLC6A2 570/4885SLC6A4 679/4885SLC6A3 198/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SLC6A2 570/4885SLC6A4 679/4885SLC6A3 198/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR SLC6A2 570/4885SLC6A4 679/4885SLC6A3 198/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SLC6A2 570/4885SLC6A4 679/4885SLC6A3 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.