SCHEMBL4728007

SCHEMBL4728007

CCc1ccc(NC(=O)NC[C@@H]2CCCN2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.51
▸ HCRTR2 O43614 1/20 0.51
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ MAPT P10636 2/20 0.49
▸ MCHR2 Q969V1 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ OPRM1 P35372 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL4727016 0.81 POLB (0.53) HCRTR1HCRTR2MAPTOPRM1KMT2A
SCHEMBL4996479 0.78 ENPP2 (0.48) HCRTR1HCRTR2RAB9ANPC1MAPT
SCHEMBL4956334 0.74 OPRD1 (0.59) HCRTR1HCRTR2RAB9ANPC1MCHR2
SCHEMBL8055430 0.74 EPHX1 (0.58) HCRTR1HCRTR2RAB9AMAPTMCHR2
SCHEMBL25379093 0.73 MEN1 (0.41) RAB9ANPC1KMT2AMEN1
SCHEMBL14574169 0.72 RAB9A (0.62) RAB9AMCHR2MCHR1SMN1; SMN2KMT2A
SCHEMBL6726161 0.70 HCRTR1 (0.57) HCRTR1HCRTR2RAB9ANPC1MAPT
SCHEMBL6726166 0.70 HCRTR1 (0.57) HCRTR1HCRTR2RAB9ANPC1MAPT
SCHEMBL6223216 0.70 HCRTR1 (0.60) HCRTR1HCRTR2RAB9ANPC1MCHR2
SCHEMBL6223213 0.70 HCRTR1 (0.60) HCRTR1HCRTR2RAB9ANPC1MCHR2

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 3 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-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

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 HCRTR1 3640/4885HCRTR2 3149/4885RAB9A 2065/4885

“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.

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