SCHEMBL5455843

SCHEMBL5455843

C[C@H](NC(=O)c1c(CN2CCN(CCCN(C)C)C(=O)C2)c(-c2ccccc2)nc2ccc(F)cc12)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.57
TACR3 P29371 16/20 0.57
OPRM1 P35372 8/20 0.56
TRPV4 Q9HBA0 4/20 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
SCHEMBL5450761 0.92 TACR2 (0.68) TACR2TACR3OPRM1TRPV4
SCHEMBL5438071 0.91 TACR2 (0.60) TACR2TACR3OPRM1TRPV4
SCHEMBL6200585 0.90 TACR2 (0.47) TACR2TACR3OPRM1TRPV4
SCHEMBL5450756 0.88 TACR2 (0.69) TACR2TACR3OPRM1TRPV4
SCHEMBL5442112 0.86 DHODH (0.52)
SCHEMBL5937385 0.86 TACR2 (0.56) TACR2TACR3OPRM1TRPV4
SCHEMBL5937443 0.84 TACR2 (0.54) TACR2TACR3OPRM1TRPV4
SCHEMBL5442075 0.83 TACR2 (0.69) TACR2TACR3OPRM1TRPV4
SCHEMBL5908809 0.83 TACR2 (0.69) TACR2TACR3OPRM1TRPV4
SCHEMBL6268952 0.83 TACR3 (0.54) TACR2TACR3OPRM1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXOSMITHKLINE SPA 2005-08-11 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 (2 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-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 TACR2 22/4885TACR3 45/4885OPRM1 733/4885
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNQ3, KCNK3, KCNK2 TACR2 22/4885TACR3 45/4885OPRM1 733/4885

“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.