SCHEMBL2918643

SCHEMBL2918643

O=C(OCc1ccccc1)N1CCC(C(=O)O)(c2ccc3ccccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
NOS2 P35228 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM1A O60341 1/20 0.44
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 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
SCHEMBL2467789 0.86 KMT2A (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12983493 0.86 OPRM1 (0.52) OPRM1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL14399538 0.86 MEN1 (0.50) OPRM1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2919825 0.84 MEN1 (0.48) OPRM1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL3910173 0.83 RORC (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8915729 0.83 OPRM1 (0.53) OPRM1MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL8353122 0.80 TSHR (0.52) OPRM1KMT2AOPRD1OPRK1RORC
SCHEMBL17187989 0.79 KMT2A (0.52) OPRM1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2923215 0.79 SMN1; SMN2 (0.44) OPRM1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2923211 0.79 SMN1; SMN2 (0.44) OPRM1MEN1KMT2ANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858629-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-12-28 US disclosed
EP-2010178-B1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-09-01 EP 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
EP-2010178-A4 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2009-04-29 EP disclosed
EP-2010178-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP 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 (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-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 OPRM1 541/4885MEN1 3022/4885KMT2A 3747/4885

“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.