SCHEMBL4730106

SCHEMBL4730106

CCc1ccc(CC(=O)NCC2(C(=O)NCc3ccccc3Cl)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.52
HSD17B2 P37059 1/20 0.51
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
METAP2 P50579 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL4992770 0.87 MEN1 (0.47) MEN1KMT2AHTTLMNAHSD17B2
SCHEMBL4996498 0.86 RAB9A (0.51) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL14092463 0.80 MEN1 (0.47) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL4726588 0.80 RAB9A (0.46) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL4993936 0.76 SMN1; SMN2 (0.44) HTTLMNARAB9ANPC1POLB
SCHEMBL1346681 0.76 NPC1 (0.63) MEN1KMT2AHTTHSD17B2RAB9A
SCHEMBL4996569 0.76 RAB9A (0.42) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL1344118 0.73 MAPT (0.48) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL4780379 0.72 SMN1; SMN2 (0.43) HTTLMNARAB9ANPC1POLB
SCHEMBL14092505 0.72 SMN1; SMN2 (0.43) LMNARAB9ANPC1POLBSMN1; SMN2

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 MEN1 665/4885KMT2A 2418/4885HTT 1845/4885

“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.