SCHEMBL17945938

SCHEMBL17945938

COc1cccc([C@@H](C)NCc2cc(-c3ccc(C)c(C(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 11/20 0.54
▸ PPARG P37231 2/20 0.43
▸ ROCK1 Q13464 4/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ PRKCG P05129 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ PRKACA P17612 2/20 0.41
▸ RPS6KB1 P23443 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ CLK2 P49760 2/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ IRAK1 P51617 2/20 0.41
▸ RPS6KA3 P51812 2/20 0.41
▸ PRKX P51817 2/20 0.41
▸ NEK4 P51957 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ PRKCD Q05655 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
SCHEMBL17939825 1.00 CASR (0.54) CASRPPARGROCK1MAP4K4PRKCG
Hydrochloric Acid SCHEMBL17939871 0.99 CASR (0.53) CASRPPARGROCK1MAP4K4PRKCG
Hydrochloric Acid SCHEMBL17939869 0.99 CASR (0.53) CASRPPARGROCK1MAP4K4PRKCG
SCHEMBL16548153 0.93 CASR (0.54) CASRPPARGROCK1MAP4K4PRKCG
SCHEMBL16548315 0.91 CASR (0.44) CASRPPARGRAB9ALMNASMN1; SMN2
SCHEMBL17939969 0.91 CASR (0.44) CASRPPARG
SCHEMBL16540583 0.91 CASR (0.44) CASRPPARGRAB9ALMNASMN1; SMN2
SCHEMBL17939803 0.91 CASR (0.54) CASRPPARGROCK1ROCK2
SCHEMBL16548319 0.91 CASR (0.53) CASRPPARGROCK1RAB9AMEN1
SCHEMBL16539803 0.91 CASR (0.53) CASRPPARGROCK1RAB9AMEN1

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 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

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 1/4885PPARG 876/4885ROCK1 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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