SCHEMBL4993840

SCHEMBL4993840

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4997027 0.84 SMN1; SMN2 (0.43) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4998950 0.83 SMN1; SMN2 (0.42) MAPTSMN1; SMN2HTTRAB9ANPC1
SCHEMBL4726803 0.82 BCHE (0.42) MAPTSMN1; SMN2HTTRAB9ANPC1
SCHEMBL4993832 0.82 CNR1 (0.50) CNR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14092486 0.79 ALDH1A1 (0.44) MAPTSMN1; SMN2HTTRAB9ANPC1
SCHEMBL4993866 0.78 CNR1 (0.51) CNR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4725957 0.76 SMN1; SMN2 (0.39) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4777622 0.76 NPC1 (0.57) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4996498 0.76 RAB9A (0.51) CNR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4725104 0.76 RAB9A (0.48) CNR1MAPTSMN1; SMN2MEN1KMT2A

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 CNR1 3342/4885MAPT 530/4885SMN1; SMN2 252/4885

“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.