SCHEMBL16548151

SCHEMBL16548151

CCOc1cccc([C@@H](C)NCc2cc(-c3ccc(C)c(C(=O)OC)c3)c3ccccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 10/20 0.45
▸ PPARG P37231 1/20 0.39
▸ PFKFB3 Q16875 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL17945140 0.94 CASR (0.44) CASR
SCHEMBL16540583 0.92 CASR (0.44) CASRPPARGPFKFB3LMNATP53
SCHEMBL16548315 0.92 CASR (0.44) CASRPPARGPFKFB3LMNATP53
SCHEMBL16548153 0.92 CASR (0.54) CASRPPARG
Hydrochloric Acid SCHEMBL17939907 0.92 CASR (0.43) CASRPPARGPFKFB3LMNATP53
Hydrochloric Acid SCHEMBL17939905 0.92 CASR (0.43) CASRPPARGPFKFB3LMNATP53
SCHEMBL17945905 0.91 CASR (0.43) CASRPFKFB3
SCHEMBL16548132 0.91 CASR (0.46) CASRPPARGLMNATP53
SCHEMBL16548098 0.91 CASR (0.46) CASRPPARGPFKFB3LMNATP53
SCHEMBL17939900 0.87 CASR (0.41) CASRPPARG

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 1/4885PPARG 876/4885PFKFB3 3419/4885

“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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