SCHEMBL17939940

SCHEMBL17939940

COc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(C(=O)OC(C)C)c(Cl)c3)c3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 13/20 0.46
▸ ROCK2 O75116 12/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CASR P41180 4/20 0.40
▸ PRKG1 Q13976 3/20 0.39
▸ PRKCG P05129 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ RPS6KB1 P23443 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ IRAK1 P51617 2/20 0.39
▸ PRKX P51817 2/20 0.39
▸ NEK4 P51957 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ PRKCD Q05655 2/20 0.39
▸ PRKG2 Q13237 2/20 0.39
▸ PKN2 Q16513 2/20 0.39

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
SCHEMBL16548224 1.00 ROCK1 (0.46) ROCK1ROCK2SMN1; SMN2CASRPRKG1
SCHEMBL16548228 0.93 SMN1; SMN2 (0.42) ROCK1ROCK2SMN1; SMN2CASRPRKG1
SCHEMBL17939812 0.93 SMN1; SMN2 (0.42) ROCK1ROCK2SMN1; SMN2CASRPRKG1
SCHEMBL16548152 0.90 ROCK1 (0.45) ROCK1ROCK2CASRPRKG1PRKCG
SCHEMBL17939937 0.90 ROCK1 (0.45) ROCK1ROCK2CASRPRKG1PRKCG
SCHEMBL16548192 0.90 ROCK1 (0.48) ROCK1ROCK2SMN1; SMN2CASRPRKG1
SCHEMBL16548189 0.90 ROCK1 (0.46) ROCK1ROCK2CASRPRKG1PRKCG
SCHEMBL17939950 0.90 ROCK1 (0.46) ROCK1ROCK2CASRPRKG1PRKCG
SCHEMBL17939796 0.89 ROCK1 (0.42) ROCK1ROCK2SMN1; SMN2CASRPRKG1
SCHEMBL16548156 0.89 ROCK1 (0.42) ROCK1ROCK2SMN1; SMN2CASRPRKG1

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-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US claimed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US claimed
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — 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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 ROCK1 2574/4885ROCK2 2986/4885SMN1; SMN2 1164/4885

“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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