SCHEMBL4998989

SCHEMBL4998989

CCc1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 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
SCHEMBL14092505 0.99 SMN1; SMN2 (0.43) ALPLSMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL4780379 0.97 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4993936 0.95 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4726465 0.90 TP53 (0.42) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4794131 0.90 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4996862 0.90 MAPT (0.42) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL4725416 0.90 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4996293 0.89 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4725149 0.89 TP53 (0.46) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL4999246 0.88 METAP2 (0.42) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT

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 7 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

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 ALPL 1274/4885SMN1; SMN2 252/4885L3MBTL1 4642/4885

“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.