SCHEMBL4990060

SCHEMBL4990060

CCc1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCN(C(=O)C3CC3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
ENPP2 Q13822 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
TP53 P04637 1/20 0.38
METAP2 P50579 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.38
P2RX7 Q99572 1/20 0.38
PSMB5 P28074 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4995223 0.96 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPK1ENPP2
SCHEMBL4725811 0.94 KMT2A (0.38) ALDH1A1KMT2AMEN1MAPK1ENPP2
SCHEMBL4996876 0.92 KEAP1 (0.43) KMT2AMEN1ENPP2HPGDMAPT
SCHEMBL14092541 0.91 KMT2A (0.42) ALDH1A1KMT2AENPP2HPGDMAPT
SCHEMBL4999246 0.91 METAP2 (0.42) ALDH1A1ENPP2MAPTLMNANPC1
SCHEMBL14092508 0.91 GNRHR (0.41) ALDH1A1KMT2AMEN1MAPK1ENPP2
SCHEMBL14092506 0.91 MAPT (0.43) ALDH1A1KMT2AMEN1ENPP2MAPT
SCHEMBL4993095 0.90 METAP2 (0.39) ENPP2MAPTLMNANPC1PTGDR2
SCHEMBL4996127 0.89 MAPT (0.40) ALDH1A1KMT2AMEN1ENPP2MAPT
SCHEMBL4725904 0.89 MAPT (0.40) ALDH1A1KMT2AENPP2MAPTLMNA

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 7 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-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 ALDH1A1 1710/4885KMT2A 2418/4885MEN1 665/4885

“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.