SCHEMBL16548249

SCHEMBL16548249

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 9/20 0.44
▸ PTGS2 P35354 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KAT6A Q92794 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PRKX P51817 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL16540119 1.00 CASR (0.44) CASRPTGS2LMNATP53PPARG
Hydrochloric Acid SCHEMBL17939870 0.99 CASR (0.44) CASRPTGS2LMNATP53PPARG
Hydrochloric Acid SCHEMBL17939873 0.99 CASR (0.44) CASRPTGS2LMNATP53PPARG
SCHEMBL16548132 0.93 CASR (0.46) CASRPTGS2LMNATP53PPARG
SCHEMBL16548181 0.92 CASR (0.55) CASRPPARGALDH1A1RAB9APRKACA
SCHEMBL16540261 0.92 CASR (0.55) CASRPPARGALDH1A1RAB9APRKACA
Hydrochloric Acid SCHEMBL17939916 0.91 PTGS2 (0.40) CASRPTGS2LMNATP53PPARG
SCHEMBL16540353 0.91 CASR (0.45) CASRDHODHPRKACAGSK3AGSK3B
SCHEMBL16548108 0.91 CASR (0.45) CASRDHODHPRKACAGSK3AGSK3B
SCHEMBL16540583 0.91 CASR (0.44) CASRLMNATP53PPARGALDH1A1

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 1/4885PTGS2 434/4885LMNA 1996/4885

“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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