SCHEMBL4993899

SCHEMBL4993899

CCc1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
METAP2 P50579 1/20 0.41
REV1 Q9UBZ9 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.39
GFER P55789 1/20 0.39
FAAH O00519 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4989967 0.93 MAPT (0.41) PTGDR2METAP2REV1MAPTTP53
SCHEMBL4999057 0.93 OPRM1 (0.49) PTGDR2MAPTTP53OPRM1OPRD1
SCHEMBL4725149 0.93 TP53 (0.46) PTGDR2METAP2MAPTTP53OPRM1
SCHEMBL4998929 0.90 MAPT (0.41) PTGDR2METAP2MAPTTP53OPRM1
SCHEMBL4999246 0.90 METAP2 (0.42) PTGDR2METAP2MAPTTP53LMNA
SCHEMBL4996862 0.90 MAPT (0.42) PTGDR2METAP2MAPTTP53LMNA
SCHEMBL4993936 0.90 SMN1; SMN2 (0.44) PTGDR2MAPTTP53LMNAALDH1A1
SCHEMBL14092527 0.90 MAPT (0.40) PTGDR2METAP2MAPTTP53OPRM1
SCHEMBL14092508 0.89 GNRHR (0.41) PTGDR2METAP2MAPTTP53LMNA
SCHEMBL14092506 0.89 MAPT (0.43) PTGDR2METAP2MAPTTP53LMNA

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 2 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

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 PTGDR2 655/4885METAP2 967/4885REV1 4512/4885

“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.