SCHEMBL3946497

SCHEMBL3946497

CC(C)(F)C(c1cc(F)cc(C#N)c1)C1CN(C(c2ccc(Cl)cc2)c2cccc(-c3n[nH]c(=O)o3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 18/20 0.39
MDM2 Q00987 2/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL501974 1.00 NOTUM (0.39) NOTUMMDM2CYP1A2
SCHEMBL501975 1.00 NOTUM (0.39) NOTUMMDM2CYP1A2
SCHEMBL20853553 0.96 NOTUM (0.36) NOTUMMDM2CYP1A2
SCHEMBL3835696 0.95 NOTUM (0.41) NOTUM
SCHEMBL502154 0.95 NOTUM (0.41) NOTUM
SCHEMBL3481434 0.95 NOTUM (0.41) NOTUM
SCHEMBL502155 0.95 NOTUM (0.41) NOTUM
SCHEMBL502501 0.94 NOTUM (0.35) NOTUMMDM2
SCHEMBL4255728 0.94 NOTUM (0.35) NOTUMMDM2
SCHEMBL502502 0.94 NOTUM (0.35) NOTUMMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906652-B2 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
US-20100081642-A1 CB-1 RECEPTOR MODULATOR PHARMACEUTICAL FORMULATIONS MERCK SHARP & DOHME CORP. 2010-04-01 US disclosed
EP-2083822-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
EP-2083831-A2 METHOD OF TREATMENT USING FATTY ACID SYNTHESIS INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2009048544-A1 LIQUID PHARMACEUTICAL COMPOSITIONS FOR PARENTERAL ADMINISTRATION OF A SUBSTITUTED AMIDE MERCK & CO., INC. (US) 2009-04-16 WO disclosed
EP-2010519-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
EP-1940842-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-07-09 EP disclosed
WO-2008051404-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2008039327-A2 METHOD OF TREATMENT USING FATTY ACID SYNTHESIS INHIBITORS MERCK & CO., INC. (US) 2008-04-03 WO disclosed
WO-2007120655-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO disclosed
WO-2007041052-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-12 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-20100081642-A1 CB-1 RECEPTOR MODULATOR PHARMACEUTICAL FORMULATIONS CNR1, CNR2, GPBAR1 NOTUM 1240/4885MDM2 3678/4885CYP1A2 368/4885

“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.