SCHEMBL14092543

SCHEMBL14092543

CCc1ccc(NC(=O)O[C@@H]2CCCN(C(=O)NCc3ccccc3Cl)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.50
▸ MAOB P27338 3/20 0.50
▸ POLB P06746 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ F2R P25116 1/20 0.47
▸ EPHX2 P34913 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PSMB5 P28074 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
SCHEMBL4986457 1.00 BCHE (0.50) BCHEMAOBPOLBGAAMAPT
SCHEMBL14092555 1.00 BCHE (0.50) BCHEMAOBPOLBGAAMAPT
SCHEMBL14092514 0.90 EPHX2 (0.56) BCHEMAOBPOLBGAAMAPT
SCHEMBL4990827 0.80 POLB (0.51) BCHEMAOBPOLBGAAMAPT
SCHEMBL4794378 0.80 POLB (0.51) BCHEMAOBPOLBGAAMAPT
SCHEMBL4794134 0.80 BCHE (0.51) BCHEMAOBMAPTNPC1RAB9A
SCHEMBL4726787 0.78 BCHE (0.48) BCHEMAOBMAPTNPC1RAB9A
SCHEMBL4990109 0.78 BCHE (0.48) BCHEMAOBMAPTNPC1RAB9A
SCHEMBL4727016 0.77 POLB (0.53) POLBMAPTTP53KMT2A
SCHEMBL4726589 0.77 BRD4 (0.53) POLBMAPTNPC1RAB9ASTAT1

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 disclosed
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
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 — — US 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 994/4885MAOB 378/4885POLB 2180/4885

“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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