SCHEMBL16548110

SCHEMBL16548110

COc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(C(=O)O)cc3)c3ccccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 14/20 0.47
▸ ROCK2 O75116 10/20 0.47
▸ PRKG1 Q13976 7/20 0.47
▸ PRKACA P17612 6/20 0.47
▸ CYP3A4 P08684 6/20 0.47
▸ RPS6KB1 P23443 5/20 0.47
▸ MAPK1 P28482 5/20 0.47
▸ GSK3A P49840 5/20 0.47
▸ GSK3B P49841 5/20 0.47
▸ PRKX P51817 5/20 0.47
▸ PRKCD Q05655 5/20 0.47
▸ PKN2 Q16513 5/20 0.47
▸ CLK4 Q9HAZ1 5/20 0.47
▸ SGK2 Q9HBY8 5/20 0.47
▸ CYP2C9 P11712 5/20 0.47
▸ RPS6KA5 O75582 4/20 0.47
▸ PRKCG P05129 4/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ AKT2 P31751 4/20 0.47
▸ PRKG2 Q13237 4/20 0.47

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
Hydrochloric Acid SCHEMBL16540267 0.99 ROCK1 (0.46) ROCK1ROCK2PRKG1PRKACACYP3A4
SCHEMBL16548114 0.90 GPR139 (0.42) ROCK1ROCK2PRKG1PRKACACYP3A4
SCHEMBL16540252 0.89 ROCK1 (0.45) ROCK1ROCK2PRKG1PRKACACYP3A4
Hydrochloric Acid SCHEMBL17939944 0.89 GPR139 (0.41) ROCK1ROCK2PRKG1PRKACACYP3A4
SCHEMBL17945886 0.88 PFKFB3 (0.43) ROCK1ROCK2PRKG1PRKACACYP3A4
SCHEMBL16548165 0.88 ROCK1 (0.47) ROCK1ROCK2PRKG1PRKACACYP3A4
SCHEMBL17945114 0.88 PFKFB3 (0.43) ROCK1ROCK2PRKG1PRKACACYP3A4
Hydrochloric Acid SCHEMBL16540435 0.88 PFKFB3 (0.42) ROCK1ROCK2PRKG1PRKACACYP3A4
Hydrochloric Acid SCHEMBL16540143 0.88 ROCK1 (0.47) ROCK1ROCK2PRKG1PRKACACYP3A4
SCHEMBL16548321 0.87 ROCK1 (0.44) ROCK1ROCK2PRKG1PRKACACYP3A4

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 ROCK1 2574/4885ROCK2 2986/4885PRKG1 2114/4885

“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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