SCHEMBL4777595

SCHEMBL4777595

CCc1ccc(NC(=O)OCC2(N(C=O)Cc3ccccc3Cl)CCCN(C(=O)CN)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 6/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TGM1 P22735 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ EPHX2 P34913 3/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL4726074 0.95 PTGDR2 (0.37) PTGDR2NPC1RAB9AKMT2AMAPT
SCHEMBL4726365 0.92 PTGDR2 (0.37) PTGDR2NPC1RAB9AKMT2AMAPT
SCHEMBL4725899 0.88 PTGDR2 (0.34) PTGDR2NPC1RAB9AKMT2AMAPT
SCHEMBL4727511 0.86 PTGDR2 (0.36) PTGDR2NPC1RAB9AKMT2AMAPT
SCHEMBL4990486 0.85 PTGDR2 (0.38) PTGDR2NPC1RAB9AKMT2AMAPT
SCHEMBL4777161 0.85 RAB9A (0.35) PTGDR2NPC1RAB9AKMT2AMAPT
SCHEMBL4999056 0.84 PTGDR2 (0.37) PTGDR2NPC1RAB9AMAPTLMNA
SCHEMBL4995225 0.84 MAPT (0.36) PTGDR2NPC1RAB9AKMT2AMAPT
SCHEMBL4999165 0.84 ALDH1A1 (0.36) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL4999106 0.84 FAAH (0.38) NPC1RAB9AKMT2AMAPTLMNA

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 4 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 claimed
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 PTGDR2 655/4885NPC1 4684/4885RAB9A 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.

Send feedback