SCHEMBL4725085

SCHEMBL4725085

CCc1ccc(NC(=O)OCC2CN(C(=O)CN)CCN2N(C=O)Cc2ccccc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ BCHE P06276 4/20 0.34
▸ ACHE P22303 4/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TGM1 P22735 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL4999099 0.85 BCHE (0.41) PTGDR2BCHEACHEENPP2MAOB
SCHEMBL4996945 0.83 PTGDR2 (0.38) MAPTLMNAPTGDR2BCHEACHE
SCHEMBL14092656 0.81 MAPT (0.40) MAPTLMNAPTGDR2NPC1RAB9A
SCHEMBL4726365 0.76 PTGDR2 (0.37) MAPTLMNAPTGDR2ENPP2NPC1
SCHEMBL4726074 0.76 PTGDR2 (0.37) MAPTLMNAPTGDR2ENPP2NPC1
SCHEMBL4725087 0.76 ACHE (0.38) MAPTBCHEACHENPC1RAB9A
SCHEMBL4777595 0.75 PTGDR2 (0.36) MAPTLMNAPTGDR2ENPP2NPC1
SCHEMBL4727511 0.75 PTGDR2 (0.36) MAPTLMNAPTGDR2ENPP2NPC1
SCHEMBL4990109 0.72 BCHE (0.48) MAPTBCHEACHEENPP2NPC1
SCHEMBL4726787 0.72 BCHE (0.48) MAPTBCHEACHEENPP2NPC1

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-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 — — US claimed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — WO 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

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 MAPT 530/4885LMNA 216/4885PTGDR2 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.

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