SCHEMBL16548158

SCHEMBL16548158

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.41
▸ FFAR1 O14842 3/20 0.41
▸ ROCK1 Q13464 5/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PRKACA P17612 3/20 0.40
▸ AKT1 P31749 3/20 0.40
▸ PRKG1 Q13976 3/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ PRKCG P05129 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ IRAK1 P51617 2/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ PRKX P51817 2/20 0.40

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 SCHEMBL16539996 0.99 CASR (0.41) CASRFFAR1ROCK1ROCK2CYP2C9
SCHEMBL16548235 0.94 CASR (0.39) CASRFFAR1ROCK1ROCK2CYP2C9
SCHEMBL16548234 0.93 POLB (0.41) CASRFFAR1ROCK1ROCK2CYP2C9
SCHEMBL16541124 0.93 POLB (0.41) CASRFFAR1ROCK1ROCK2CYP2C9
Hydrochloric Acid SCHEMBL17939882 0.93 CASR (0.39) CASRFFAR1ROCK1ROCK2CYP2C9
Hydrochloric Acid SCHEMBL16540625 0.92 POLB (0.41) CASRFFAR1ROCK1ROCK2CYP2C9
SCHEMBL17945191 0.92 PTGS2 (0.41) FFAR1ROCK1PRKACAGSK3AGSK3B
SCHEMBL18215341 0.92 PTGS2 (0.41) FFAR1ROCK1PRKACAGSK3AGSK3B
SCHEMBL17945890 0.91 CASR (0.41) CASRFFAR1ROCK1ROCK2PRKACA
SCHEMBL18215342 0.91 CASR (0.41) CASRROCK1ROCK2CYP2C9CYP3A4

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 CASR 1/4885FFAR1 110/4885ROCK1 2574/4885

“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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