SCHEMBL4725104

SCHEMBL4725104

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 1/20 0.47
RIPK1 Q13546 3/20 0.46
GFER P55789 1/20 0.45
ANO1 Q5XXA6 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4993866 0.89 CNR1 (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1CNR1
SCHEMBL14116567 0.88 RAB9A (0.46) RAB9ANPC1SMN1; SMN2RIPK1POLB
SCHEMBL4726901 0.86 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1RIPK1
SCHEMBL4999274 0.85 RAB9A (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1CNR1
SCHEMBL4998995 0.84 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1RIPK1
SCHEMBL4726482 0.82 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1RIPK1
SCHEMBL5529639 0.79 RIPK1 (0.70) RAB9ANPC1SMN1; SMN2L3MBTL1RIPK1
SCHEMBL4725023 0.78 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL4996462 0.78 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5001753 0.77 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT

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 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-20080214835-A1 Processes for preparing darifenacin hydrobromide TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-09-04 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 (2 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-20080214835-A1 Processes for preparing darifenacin hydrobromide OPRL1, AVPR2, AVPR1B RAB9A 956/4885NPC1 4114/4885SMN1; SMN2 1548/4885
US-20080194633-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; 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.