SCHEMBL2158707

SCHEMBL2158707

CCOc1cccc(N=C(N)c2ccc(C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ HTR3E A5X5Y0 2/20 0.44
▸ HTR3B O95264 2/20 0.44
▸ HTR3A P46098 2/20 0.44
▸ HTR3D Q70Z44 2/20 0.44
▸ HTR3C Q8WXA8 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NOS3 P29474 2/20 0.44
▸ NOS1 P29475 2/20 0.44
▸ NOS2 P35228 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ADRA2A P08913 2/20 0.42
▸ PLAU P00749 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL2152565 0.89 HTR3E (0.44) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL3622294 0.84 HTR3E (0.64) CYP2D6HIF1AHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL11769432 0.83 TAAR1 (0.65) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL2152562 0.81 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11770998 0.77 CYP2D6 (0.69) CYP2D6HIF1AHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL11771006 0.77 CYP2D6 (0.69) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL2152895 0.75 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11771551 0.74 TAAR1 (0.69) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL28873290 0.73 CYP2D6 (1.00) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL12463808 0.73 CYP2D6 (1.00) CYP2D6HIF1AHTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977339-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-07-12 — — US disclosed
EP-2010519-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-06 — — EP disclosed
US-7858629-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-12-28 — — US disclosed
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-12-09 — — US disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 — — US disclosed
EP-2010178-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-09-01 — — EP disclosed
US-7759352-B2 Substituted imidazole-4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-20 — — US disclosed
EP-2010179-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-07-07 — — EP disclosed
US-20090281117-A1 Substituted Imidazole-4-Carboxamides as Cholecystokinin -1 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-11-12 — — US disclosed
US-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes MERCK SHARP & DOHME CORP. 2009-09-24 — — US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
EP-2010179-A4 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2009-05-06 — — EP disclosed
EP-2010178-A4 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2009-04-29 — — EP disclosed
EP-2010179-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 — — EP disclosed
EP-2010178-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 — — EP disclosed
EP-2010519-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 — — EP disclosed
WO-2007120655-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 — — WO disclosed
WO-2007120718-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 — — WO disclosed
WO-2007120688-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 — — 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 (4 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-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GPR119 CYP2D6 2801/4885HIF1A 3551/4885HTR3E 175/4885
US-20090239862-A1 3-{(3S)-4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3 -[(isopropylamino)carbonyl]-1-piperazinyl}-1-naphthoic acid, useful for the treatment, control, or prevention of obesity and diabetes CCKAR, CCKBR, GIPR CYP2D6 3015/4885HIF1A 2246/4885HTR3E 178/4885
US-20090281117-A1 Substituted Imidazole-4-Carboxamides as Cholecystokinin -1 Receptor Modulators CCKAR, CCKBR, GPR119 CYP2D6 3002/4885HIF1A 3762/4885HTR3E 174/4885
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS CCKAR, CCKBR, GPR119 CYP2D6 2801/4885HIF1A 3551/4885HTR3E 175/4885

“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.

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