SCHEMBL4726787

SCHEMBL4726787

CCc1ccc(NC(=O)O[C@@H]2CCCN(N(C=O)Cc3ccccc3Cl)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.48
▸ MAOB P27338 3/20 0.48
▸ ACHE P22303 1/20 0.42
▸ F2R P25116 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4990109 1.00 BCHE (0.48) BCHEMAOBACHEF2RNPC1
SCHEMBL4778921 0.91 BCHE (0.46) BCHEMAOBACHEF2RNPC1
SCHEMBL4999099 0.80 BCHE (0.41) BCHEMAOBACHEENPP2
SCHEMBL14092555 0.78 BCHE (0.50) BCHEMAOBACHEF2RNPC1
SCHEMBL4986457 0.78 BCHE (0.50) BCHEMAOBACHEF2RNPC1
SCHEMBL14092543 0.78 BCHE (0.50) BCHEMAOBACHEF2RNPC1
SCHEMBL4996945 0.73 PTGDR2 (0.38) BCHEMAOBACHENPC1MAPT
SCHEMBL4990122 0.73 BCHE (0.52) BCHEMAOBACHEF2RNPC1
SCHEMBL4726788 0.73 BCHE (0.52) BCHEMAOBACHEF2RNPC1
SCHEMBL4725085 0.72 MAPT (0.36) BCHEMAOBACHENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — WO 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

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 378/4885ACHE 98/4885

“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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