SCHEMBL4726482

SCHEMBL4726482

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RIPK1 Q13546 2/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TP53 P04637 1/20 0.42
GFER P55789 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 1/20 0.40
FFAR1 O14842 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
SCHEMBL4726901 0.90 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1RIPK1RAB9AMAPT
SCHEMBL14092491 0.86 L3MBTL1 (0.49) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4998995 0.84 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1RIPK1RAB9AMAPT
SCHEMBL4993866 0.84 CNR1 (0.51) SMN1; SMN2L3MBTL1RIPK1RAB9AMAPT
SCHEMBL5001753 0.83 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4725023 0.82 ALDH1A1 (0.42) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4996462 0.82 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4725104 0.82 RAB9A (0.48) SMN1; SMN2L3MBTL1RIPK1RAB9AMAPT
SCHEMBL5002002 0.81 HTT (0.58) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4727032 0.81 MAPT (0.41) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1

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-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 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
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 SMN1; SMN2 252/4885L3MBTL1 4642/4885RIPK1 4502/4885

“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.