SCHEMBL4725079

SCHEMBL4725079

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GHSR Q92847 1/20 0.37
METAP2 P50579 1/20 0.37
NPC1 O15118 2/20 0.36
ENPP2 Q13822 1/20 0.36
FAAH O00519 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL4725956 0.92 ALDH1A1 (0.43) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL4777184 0.90 MAPT (0.40) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL4995339 0.90 CYP2D6 (0.42) MAPTLMNARAB9ATP53ALDH1A1
SCHEMBL4996127 0.90 MAPT (0.40) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL14092506 0.90 MAPT (0.43) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL14092512 0.90 MAPT (0.40) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL4777600 0.89 MAPT (0.40) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL4779381 0.89 MAPT (0.39) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL4999246 0.88 METAP2 (0.42) MAPTLMNARAB9ATP53ALDH1A1
SCHEMBL14092508 0.88 GNRHR (0.41) MAPTLMNARAB9AMEN1KMT2A

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-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
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 MAPT 530/4885LMNA 216/4885RAB9A 2065/4885

“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.