SCHEMBL4896258

SCHEMBL4896258

O=C(NC(c1ccccc1)C1CC1)c1c(CN2CCCC2=O)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 17/20 0.63
CYP2C9 P11712 2/20 0.54
TACR2 P21452 7/20 0.54
TRPV4 Q9HBA0 2/20 0.53
OPRM1 P35372 3/20 0.52

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
SCHEMBL4896249 1.00 TACR3 (0.63) TACR3CYP2C9TACR2TRPV4OPRM1
SCHEMBL4887323 0.92 TACR3 (0.67) TACR3CYP2C9TACR2TRPV4
SCHEMBL4887319 0.92 TACR3 (0.67) TACR3CYP2C9TACR2TRPV4
SCHEMBL4893103 0.92 TACR3 (0.67) TACR3CYP2C9TRPV4
SCHEMBL4893095 0.92 TACR3 (0.67) TACR3CYP2C9TRPV4
SCHEMBL4898679 0.90 TACR3 (0.68) TACR3CYP2C9TRPV4
SCHEMBL4898683 0.90 TACR3 (0.68) TACR3CYP2C9TRPV4
SCHEMBL5635725 0.85 TACR3 (0.74) TACR3CYP2C9TACR2OPRM1
SCHEMBL4884299 0.81 DHODH (0.50) TACR3TACR2OPRM1
SCHEMBL4893649 0.79 TACR2 (0.52) TACR3TACR2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 US claimed
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 US disclosed
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 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-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine TACR1, TACR2, KCNA3 TACR3 10/4885CYP2C9 1311/4885TACR2 2/4885

“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.