SCHEMBL4780481

SCHEMBL4780481

CC(C)c1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BCHE P06276 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL14092459 0.95 NPC1 (0.41) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4997024 0.91 POLB (0.49) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14092501 0.91 NPC1 (0.45) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4999028 0.90 NPC1 (0.44) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4726465 0.90 TP53 (0.42) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL14092426 0.89 MAPT (0.46) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4779319 0.88 MAPT (0.48) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4993735 0.87 MEN1 (0.42) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4996739 0.87 NPC1 (0.39) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4993860 0.86 NPSR1 (0.53) NPC1ALDH1A1MEN1KMT2ARAB9A

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 9 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-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 NPC1 4684/4885ALDH1A1 1710/4885MEN1 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.