SCHEMBL16540353

SCHEMBL16540353

COCCOc1cccc(C(C)NCc2cc(-c3ccc(F)c(C(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 10/20 0.45
▸ ROCK1 Q13464 3/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ PRKX P51817 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ S1PR3 Q99500 1/20 0.38
▸ NR4A2 P43354 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MARK3 P27448 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL16548108 1.00 CASR (0.45) CASRROCK1PRKACAGSK3AGSK3B
Hydrochloric Acid SCHEMBL16540367 0.99 CASR (0.44) CASRROCK1PRKACAGSK3AGSK3B
Hydrochloric Acid SCHEMBL16540369 0.99 CASR (0.44) CASRROCK1PRKACAGSK3AGSK3B
SCHEMBL16548096 0.94 CASR (0.45) CASRROCK1PRKACAGSK3AGSK3B
SCHEMBL16540119 0.91 CASR (0.44) CASRROCK1PRKACAGSK3AGSK3B
SCHEMBL16548249 0.91 CASR (0.44) CASRROCK1PRKACAGSK3AGSK3B
SCHEMBL16548181 0.91 CASR (0.55) CASRROCK1PRKACAGSK3AGSK3B
SCHEMBL16540261 0.91 CASR (0.55) CASRROCK1PRKACAGSK3AGSK3B
Hydrochloric Acid SCHEMBL17939873 0.90 CASR (0.44) CASRDHODH
Hydrochloric Acid SCHEMBL17939870 0.90 CASR (0.44) CASRDHODH

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 8 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
EP-3039014-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Atlantis Holdings SA (CH) 2016-07-06 — — EP claimed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — WO 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 CASR 1/4885ROCK1 2574/4885PRKACA 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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