SCHEMBL4119205

SCHEMBL4119205

Clc1ccccc1OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
HRH3 Q9Y5N1 2/20 0.56
GAA P10253 1/20 0.54
ACHE P22303 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
BCHE P06276 1/20 0.52
CCR3 P51677 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
OPRK1 P41145 1/20 0.50
SCD O00767 1/20 0.50
MCHR1 Q99705 1/20 0.50

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
SCHEMBL5864862 0.84 SMN1; SMN2 (0.54) SMN1; SMN2HRH3GAASIGMAR1OPRK1
SCHEMBL11731487 0.84 SMN1; SMN2 (0.67) SMN1; SMN2HRH3GAAACHEMEN1
SCHEMBL10606808 0.82 MCHR1 (0.60) SMN1; SMN2HRH3GAAACHEMEN1
SCHEMBL17455980 0.82 SMN1; SMN2 (0.58) SMN1; SMN2HRH3GAAACHEMEN1
SCHEMBL6708061 0.81 SMN1; SMN2 (0.61) SMN1; SMN2HRH3GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL10608932 0.81 MCHR1 (0.58) SMN1; SMN2HRH3GAAACHEMEN1
SCHEMBL4855546 0.81 HRH3 (0.74) SMN1; SMN2HRH3GAAACHECCR3
SCHEMBL12359570 0.80 SMN1; SMN2 (0.63) SMN1; SMN2HRH3GAAACHEMEN1
SCHEMBL4229644 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HRH3GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL11073301 0.80 SMN1; SMN2 (0.63) SMN1; SMN2HRH3GAAMEN1KMT2A

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 34 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 SMN1; SMN2 2508/4885HRH3 1249/4885GAA 4361/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR SMN1; SMN2 2508/4885HRH3 1249/4885GAA 4361/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SMN1; SMN2 2508/4885HRH3 1249/4885GAA 4361/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR SMN1; SMN2 2508/4885HRH3 1249/4885GAA 4361/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SMN1; SMN2 2508/4885HRH3 1249/4885GAA 4361/4885

“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.