SCHEMBL16548332

SCHEMBL16548332

CCC(N[C@H](C)c1cccc(OC)c1)c1cc(-c2ccc(C)c(C(=O)O)c2)c2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.41
▸ ROCK1 Q13464 6/20 0.41
▸ PRKACA P17612 3/20 0.41
▸ RPS6KB1 P23443 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ AKT1 P31749 3/20 0.41
▸ GSK3A P49840 3/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ RPS6KA3 P51812 3/20 0.41
▸ PRKX P51817 3/20 0.41
▸ PRKCD Q05655 3/20 0.41
▸ PRKG2 Q13237 3/20 0.41
▸ PRKG1 Q13976 3/20 0.41
▸ PKN2 Q16513 3/20 0.41
▸ CDC42BPA Q5VT25 3/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ SGK2 Q9HBY8 3/20 0.41
▸ AKT3 Q9Y243 3/20 0.41
▸ MAP4K4 O95819 2/20 0.41

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 SCHEMBL16540206 0.99 PPARG (0.41) PPARGROCK1PRKACARPS6KB1CDK2
SCHEMBL16548321 0.92 ROCK1 (0.44) PPARGROCK1PRKACARPS6KB1CDK2
Hydrochloric Acid SCHEMBL16539994 0.91 ROCK1 (0.44) PPARGROCK1PRKACARPS6KB1CDK2
SCHEMBL17939973 0.91 ROCK1 (0.40) ROCK1PRKACARPS6KB1CDK2MAPK1
SCHEMBL16548102 0.91 ROCK1 (0.40) ROCK1PRKACARPS6KB1CDK2MAPK1
SCHEMBL16548112 0.86 LMNA (0.42) PPARGMCL1LMNASMN1; SMN2LDHA
SCHEMBL16548165 0.85 ROCK1 (0.47) PPARGROCK1PRKACARPS6KB1CDK2
Hydrochloric Acid SCHEMBL17939819 0.85 LMNA (0.42) PPARGMCL1LMNASMN1; SMN2LDHA
Hydrochloric Acid SCHEMBL17939939 0.85 LMNA (0.42) PPARGMCL1LMNASMN1; SMN2LDHA
Hydrochloric Acid SCHEMBL16540143 0.85 ROCK1 (0.47) PPARGROCK1PRKACARPS6KB1CDK2

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 PPARG 876/4885ROCK1 2574/4885PRKACA 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.

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