SCHEMBL4777683

SCHEMBL4777683

CCc1ccc(NC(=O)OCCN(CCCN)C(=O)NCc2ccccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 3/20 0.38
HTT P42858 2/20 0.38
EGFR P00533 1/20 0.38
RECQL P46063 1/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL14092671 0.97 MAPT (0.40) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL4990206 0.96 MAPT (0.39) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL4996421 0.94 SMN1; SMN2 (0.41) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL4995718 0.91 MAPT (0.40) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL4997107 0.91 MAPT (0.40) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL4999026 0.90 BCHE (0.39) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL4725915 0.90 SMN1; SMN2 (0.41) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL4999113 0.89 SMN1; SMN2 (0.40) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL4996521 0.88 L3MBTL1 (0.40) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2
SCHEMBL14092484 0.88 SMN1; SMN2 (0.39) MAPTTP53SMN1; SMN2L3MBTL1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US claimed
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-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
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 MAPT 530/4885TP53 2206/4885SMN1; SMN2 252/4885

“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.