SCHEMBL4998950

SCHEMBL4998950

CCc1ccc(NC(=O)OCCCN(C)C(=O)NCc2ccccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 6/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 5/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
BCHE P06276 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ACHE P22303 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL4726803 0.97 BCHE (0.42) SMN1; SMN2RAB9AMAPTNPC1HPGD
SCHEMBL4997027 0.94 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL4725957 0.86 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AMAPTNPC1HPGD
SCHEMBL14092491 0.84 L3MBTL1 (0.49) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL5002002 0.84 HTT (0.58) SMN1; SMN2RAB9AMAPTNPC1HPGD
SCHEMBL4725915 0.83 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL4777683 0.83 MAPT (0.40) SMN1; SMN2RAB9AMAPTNPC1TP53
SCHEMBL4995718 0.83 MAPT (0.40) SMN1; SMN2RAB9AMAPTNPC1HPGD
SCHEMBL4996564 0.83 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL4996421 0.83 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1

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 6 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 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 SMN1; SMN2 252/4885RAB9A 2065/4885MAPT 530/4885

“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.