SCHEMBL4993095

SCHEMBL4993095

CCc1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCN(C(=O)C3CCN3C(=O)O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
ENPP2 Q13822 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
POLB P06746 1/20 0.38
PSMB5 P28074 2/20 0.37
P2RX7 Q99572 3/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36

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
SCHEMBL4996913 0.91 ALDH1A1 (0.41) ENPP2PSMB5P2RX7MAPTLMNA
SCHEMBL4990060 0.90 ALDH1A1 (0.41) METAP2ENPP2PTGDR2PSMB5P2RX7
SCHEMBL4999246 0.90 METAP2 (0.42) METAP2ENPP2PTGDR2POLBMAPT
SCHEMBL4780847 0.88 PSMB5 (0.37) METAP2ENPP2PTGDR2PSMB5LMNA
SCHEMBL4995223 0.88 ALDH1A1 (0.47) ENPP2PTGDR2MAPTLMNANPC1
SCHEMBL4725811 0.87 KMT2A (0.38) METAP2ENPP2PTGDR2PSMB5MAPT
SCHEMBL14092541 0.87 KMT2A (0.42) METAP2ENPP2PTGDR2PSMB5P2RX7
SCHEMBL14092508 0.86 GNRHR (0.41) METAP2ENPP2PTGDR2MAPTLMNA
SCHEMBL14092506 0.86 MAPT (0.43) METAP2ENPP2PTGDR2POLBMAPT
SCHEMBL4727507 0.86 MAPT (0.41) METAP2PTGDR2MAPTLMNANPC1

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 METAP2 967/4885ENPP2 398/4885PTGDR2 655/4885

“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.