Sugi Predict

Sugi Predict / Compounds / SCHEMBL7690651

SCHEMBL7690651

SCHEMBL7690651

CC[C@H](NC(=O)c1c(CN(C)Cc2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 20/20 0.81
▸ TACR2 P21452 8/20 0.81
▸ OPRM1 P35372 2/20 0.81
▸ CYP1A2 P05177 2/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ TACR1 P25103 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ TP53 P04637 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ BLM P54132 1/20 0.68
▸ PMP22 Q01453 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ ATM Q13315 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL4996809 0.90 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL7528475 0.90 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4456800 0.89 TACR3 (0.98) TACR3TACR2OPRM1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4456802 0.89 TACR3 (0.98) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6448703 0.86 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6447407 0.86 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6449768 0.86 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6448671 0.83 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL3595794 0.83 TACR3 (0.85) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL1581463 0.83 TACR3 (0.85) TACR3TACR2OPRM1CYP1A2CYP3A4

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-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists SMITHKLINE BEECHAM S.P.A. 2002-06-06 — — US disclosed
EP-1019377-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. Smithkline Beecham S.p.A. (IT) 2000-07-19 — — EP disclosed
WO-1997019926-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 — — 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-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists TAC3, TACR2, TACR1 TACR3 40/4885TACR2 2/4885OPRM1 42/4885

“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.