SCHEMBL3175157

SCHEMBL3175157

Cc1ccccc1O[C@@H]1CCNC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.67
HTR2B P41595 4/20 0.67
SLC6A2 P23975 8/20 0.59
HTR1A P08908 6/20 0.59
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 4/20 0.51
HRH1 P35367 2/20 0.50
HSP90AB1 P08238 2/20 0.48
TOP2A P11388 2/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL3168067 1.00 HTR2C (0.67) HTR2CHTR2BSLC6A2HTR1ASLC6A4
SCHEMBL3330561 1.00 HTR2C (0.67) HTR2CHTR2BSLC6A2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4124903 0.98 HTR2C (0.65) HTR2CHTR2BSLC6A2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4112913 0.98 HTR2C (0.65) HTR2CHTR2BSLC6A2HTR1ASLC6A4
SCHEMBL15062038 0.90 HTR2C (0.56) HTR2CHTR2BSLC6A2HTR1ASLC6A4
SCHEMBL1229562 0.89 HRH1 (0.62) HTR2CHTR2BSLC6A2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL3467493 0.88 HRH1 (0.60) HTR2CHTR2BSLC6A2HTR1ASLC6A4
Tert-Butyl Formate SCHEMBL28237168 0.86 HTR2C (0.54) HTR2CHTR2BSLC6A2HTR1ASLC6A4
SCHEMBL26712584 0.85 SLC6A2 (0.58) HTR2CHTR2BSLC6A2HTR1ASLC6A4
SCHEMBL8271831 0.83 SLC6A2 (0.63) HTR2CHTR2BSLC6A2HTR1ASLC6A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC. 2013-05-30 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-8207198-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2012-06-26 US disclosed
US-8207198-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2012-06-26 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP 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-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-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP 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 (7 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 HTR2C 259/4885HTR2B 235/4885SLC6A2 570/4885
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR HTR2C 259/4885HTR2B 235/4885SLC6A2 570/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 HTR2C 773/4885HTR2B 630/4885SLC6A2 218/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR HTR2C 259/4885HTR2B 235/4885SLC6A2 570/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR HTR2C 259/4885HTR2B 235/4885SLC6A2 570/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HTR2C 773/4885HTR2B 630/4885SLC6A2 218/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR HTR2C 259/4885HTR2B 235/4885SLC6A2 570/4885

“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.