SCHEMBL4126362

SCHEMBL4126362

Cc1ncccc1OC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 3/20 0.51
▸ CHRNB2 P17787 2/20 0.51
▸ CHRNA4 P43681 2/20 0.51
▸ HTR1A P08908 8/20 0.48
▸ SLC6A2 P23975 8/20 0.48
▸ SLC6A4 P31645 6/20 0.48
▸ SLC6A3 Q01959 3/20 0.48
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ CHRNB1 P11230 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNB3 Q05901 1/20 0.43

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
Hydrochloric Acid SCHEMBL69076 0.98 HRH1 (0.50) HRH1CHRNB2CHRNA4HTR1ASLC6A2
SCHEMBL27305366 0.88 CHRNB2 (0.50) CHRNB2CHRNA4HTR1ACHRNB1CHRNB4
SCHEMBL28331551 0.85 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL15000460 0.83 SLC6A2 (0.48) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
SCHEMBL8271730 0.82 ROCK1 (0.47) HRH1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23761291 0.81 KAT2B (0.48) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL4515007 0.81 HRH1 (0.51) HRH1CHRNB2CHRNA4HTR1ASLC6A2
Hydrochloric Acid SCHEMBL4123668 0.81 ROCK1 (0.46) HRH1HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20764859 0.80 HTR1A (0.54) HRH1HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL72191 0.79 HRH1 (0.50) HRH1CHRNB2CHRNA4HTR1ASLC6A2

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 45 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
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 — — 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-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
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

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 HRH1 1563/4885CHRNB2 627/4885CHRNA4 696/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR HRH1 1563/4885CHRNB2 627/4885CHRNA4 696/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR HRH1 1563/4885CHRNB2 627/4885CHRNA4 696/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR HRH1 1563/4885CHRNB2 627/4885CHRNA4 696/4885

“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.

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