SCHEMBL4794134

SCHEMBL4794134

CCc1ccc(NC(=O)OCC2CCN(C(=O)NCc3ccccc3Cl)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.51
▸ ACHE P22303 4/20 0.51
▸ MAOB P27338 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.46
▸ PSMB5 P28074 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CYP2J2 P51589 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL4996461 0.86 KCNJ5 (0.50) BCHEACHEMAOBPSMB5CYP2C9
SCHEMBL4726589 0.86 BRD4 (0.53) HSD17B10PSMB5NPC1MAPTSTAT1
SCHEMBL4990827 0.84 POLB (0.51) BCHEACHEMAOBMAPTMEN1
SCHEMBL4794378 0.84 POLB (0.51) BCHEACHEMAOBMAPTMEN1
SCHEMBL4990439 0.82 PSMB5 (0.47) HSD17B10PSMB5GLANPC1MAPT
SCHEMBL4725958 0.82 PSMB5 (0.46) HSD17B10PSMB5GLANPC1MAPT
SCHEMBL4999109 0.80 PSMB5 (0.42) HSD17B10PSMB5GLANPC1ENPP2
SCHEMBL14092543 0.80 BCHE (0.50) BCHEACHEMAOBPSMB5NPC1
SCHEMBL4986457 0.80 BCHE (0.50) BCHEACHEMAOBPSMB5NPC1
SCHEMBL14092555 0.80 BCHE (0.50) BCHEACHEMAOBPSMB5NPC1

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-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 — — US claimed
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 — — US disclosed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 — — US disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — 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-20080194633-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 BCHE 994/4885ACHE 98/4885MAOB 378/4885

“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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