SCHEMBL16548321

SCHEMBL16548321

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 11/20 0.44
▸ PRKG1 Q13976 5/20 0.44
▸ PRKACA P17612 4/20 0.44
▸ RPS6KB1 P23443 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ GSK3A P49840 4/20 0.44
▸ GSK3B P49841 4/20 0.44
▸ PRKX P51817 4/20 0.44
▸ PRKCD Q05655 4/20 0.44
▸ PRKG2 Q13237 4/20 0.44
▸ PKN2 Q16513 4/20 0.44
▸ CDC42BPA Q5VT25 4/20 0.44
▸ CLK4 Q9HAZ1 4/20 0.44
▸ SGK2 Q9HBY8 4/20 0.44
▸ AKT1 P31749 3/20 0.44
▸ RPS6KA3 P51812 3/20 0.44
▸ AKT3 Q9Y243 3/20 0.44
▸ PRKCG P05129 3/20 0.44
▸ CDK1 P06493 3/20 0.44

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
Hydrochloric Acid SCHEMBL16539994 0.99 ROCK1 (0.44) ROCK1PRKG1PRKACARPS6KB1CDK2
SCHEMBL16548165 0.93 ROCK1 (0.47) ROCK1PRKG1PRKACARPS6KB1CDK2
Hydrochloric Acid SCHEMBL16540143 0.93 ROCK1 (0.47) ROCK1PRKG1PRKACARPS6KB1CDK2
SCHEMBL16548332 0.92 PPARG (0.41) ROCK1PRKG1PRKACARPS6KB1CDK2
Hydrochloric Acid SCHEMBL16540206 0.91 PPARG (0.41) ROCK1PRKG1PRKACARPS6KB1CDK2
SCHEMBL17945552 0.91 ROCK1 (0.44) ROCK1PRKG1PRKACARPS6KB1CDK2
SCHEMBL16548155 0.91 SMN1; SMN2 (0.44) ROCK1PRKG1PRKACARPS6KB1CDK2
Hydrochloric Acid SCHEMBL16539618 0.90 ROCK1 (0.43) ROCK1PRKG1PRKACARPS6KB1CDK2
Hydrochloric Acid SCHEMBL16540274 0.90 SMN1; SMN2 (0.43) ROCK1PRKG1PRKACARPS6KB1CDK2
SCHEMBL16548112 0.90 LMNA (0.42) PPARGLDHALDHBMCL1ACMSD

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 5 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 disclosed
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
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — 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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 ROCK1 2574/4885PRKG1 2114/4885PRKACA 3534/4885

“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