SCHEMBL17250075

SCHEMBL17250075

COc1ccc(-n2c(C)nnc2N2CC(OCc3cccc(F)c3)C2)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.45
OXTR P30559 11/20 0.45
AVPR2 P30518 5/20 0.45
AVPR1B P47901 3/20 0.41
SIGMAR1 Q99720 3/20 0.38
DRD4 P21917 1/20 0.38
TACR1 P25103 1/20 0.38
OPRK1 P41145 1/20 0.38
GHSR Q92847 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37

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
SCHEMBL4133697 0.84 OXTR (0.53) AVPR1AOXTRAVPR2AVPR1BTACR1
SCHEMBL4121273 0.79 OXTR (0.70) AVPR1AOXTRAVPR2AVPR1BTACR1
SCHEMBL14981470 0.74 AVPR1A (0.37) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL4124995 0.69 OXTR (0.53) AVPR1AOXTRAVPR2AVPR1BTACR1
SCHEMBL4121502 0.61 OXTR (0.80) AVPR1AOXTRAVPR2AVPR1BTACR1
SCHEMBL17339953 0.61 CARM1 (0.64) SIGMAR1DRD4TACR1CARM1PRMT6
SCHEMBL4119793 0.60 OXTR (0.81) AVPR1AOXTRAVPR2AVPR1BTACR1
SCHEMBL23373195 0.60 CARM1 (0.70) SIGMAR1DRD4TACR1CARM1PRMT6
SCHEMBL18616222 0.60 CARM1 (0.59) SIGMAR1DRD4TACR1CARM1PRMT6
SCHEMBL3126964 0.60 CARM1 (0.55) SIGMAR1DRD4TACR1CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR AVPR1A 6/4885OXTR 1/4885AVPR2 4/4885

“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.