SCHEMBL16540116

SCHEMBL16540116

CCOc1cccc([C@@H](C)NC(CC)c2cc(-c3ccc(F)c(CCC(=O)OC(C)C)c3)c3ccccc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.37
▸ PFKFB3 Q16875 2/20 0.35
▸ PRKACA P17612 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ PDE1A P54750 2/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TACR3 P29371 1/20 0.32

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
SCHEMBL16548227 1.00 PTGS2 (0.37) PTGS2PFKFB3PRKACAGSK3AGSK3B
SCHEMBL17939832 0.95 PTGS2 (0.38) PTGS2PFKFB3PRKACAGSK3AGSK3B
SCHEMBL17945543 0.95 PTGS2 (0.38) PTGS2PFKFB3PRKACAGSK3AGSK3B
SCHEMBL16548310 0.94 CASR (0.38) PRKACAGSK3AGSK3BPRKXROCK1
SCHEMBL17939887 0.94 CASR (0.38) PRKACAGSK3AGSK3BPRKXROCK1
SCHEMBL17945975 0.92 PTGS2 (0.40) PTGS2PDE1APDE1BPDE1CLMNA
SCHEMBL18215373 0.92 PTGS2 (0.40) PTGS2PDE1APDE1BPDE1CLMNA
Hydrochloric Acid SCHEMBL17939874 0.92 PTGS2 (0.39) PTGS2PDE1APDE1BPDE1CLMNA
SCHEMBL17939843 0.91 TACR3 (0.32) PPARGTACR3
SCHEMBL16548247 0.91 TACR3 (0.32) PPARGTACR3

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 6 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 claimed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US claimed
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
EP-3039014-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Atlantis Holdings SA (CH) 2016-07-06 — — EP 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 PTGS2 434/4885PFKFB3 3419/4885PRKACA 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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