SCHEMBL6853041

SCHEMBL6853041

CN=C(SC)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.77
TACR3 P29371 17/20 0.77
OPRM1 P35372 9/20 0.74
TRPV4 Q9HBA0 3/20 0.56

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
SCHEMBL6853038 1.00 TACR2 (0.77) TACR2TACR3OPRM1TRPV4
SCHEMBL6853032 0.89 TACR2 (0.79) TACR2TACR3OPRM1TRPV4
SCHEMBL5467567 0.87 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL5437389 0.87 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL5467406 0.87 TACR2 (0.81) TACR2TACR3OPRM1TRPV4
SCHEMBL5461434 0.86 TACR2 (0.83) TACR2TACR3OPRM1TRPV4
SCHEMBL28773316 0.86 TACR2 (0.85) TACR2TACR3OPRM1TRPV4
SCHEMBL6851688 0.85 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL6848960 0.85 TACR2 (0.81) TACR2TACR3OPRM1TRPV4
SCHEMBL5445710 0.85 TACR2 (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2003-11-13 US disclosed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO 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-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNH2, KCNA6, KCNA3 TACR2 21/4885TACR3 86/4885OPRM1 228/4885

“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.