SCHEMBL16548217

SCHEMBL16548217

COc1cccc([C@@H](C)NC(C)c2cc(-c3cc(C)cc(C(=O)OC(C)C)c3)c3ccccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 2/20 0.41
▸ ROCK1 Q13464 13/20 0.39
▸ PRKG1 Q13976 6/20 0.39
▸ PRKACA P17612 6/20 0.39
▸ GSK3A P49840 6/20 0.39
▸ GSK3B P49841 6/20 0.39
▸ PRKX P51817 6/20 0.39
▸ RPS6KB1 P23443 5/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ PRKCD Q05655 5/20 0.39
▸ PKN2 Q16513 5/20 0.39
▸ CLK4 Q9HAZ1 5/20 0.39
▸ SGK2 Q9HBY8 5/20 0.39
▸ RPS6KA5 O75582 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ AKT2 P31751 4/20 0.39
▸ PRKG2 Q13237 4/20 0.39
▸ CDC42BPA Q5VT25 4/20 0.39
▸ HIPK4 Q8NE63 4/20 0.39
▸ AKT1 P31749 3/20 0.39

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
SCHEMBL16539739 1.00 PFKFB3 (0.41) PFKFB3ROCK1PRKG1PRKACAGSK3A
SCHEMBL16548143 0.93 ELANE (0.41) PFKFB3ROCK1PRKG1PRKACAGSK3A
SCHEMBL17939977 0.93 ELANE (0.41) PFKFB3ROCK1PRKG1PRKACAGSK3A
SCHEMBL17939826 0.90 PFKFB3 (0.41) PFKFB3ROCK1PRKG1PRKACAGSK3A
SCHEMBL16548222 0.90 PFKFB3 (0.41) PFKFB3ROCK1PRKG1PRKACAGSK3A
SCHEMBL17945886 0.90 PFKFB3 (0.43) PFKFB3ROCK1PRKG1PRKACAGSK3A
Hydrochloric Acid SCHEMBL16540435 0.89 PFKFB3 (0.42) PFKFB3ROCK1PRKG1PRKACAGSK3A
SCHEMBL16540252 0.89 ROCK1 (0.45) ROCK1PRKG1PRKACAGSK3AGSK3B
SCHEMBL17939796 0.85 ROCK1 (0.42) PFKFB3ROCK1PRKG1PRKACAGSK3A
SCHEMBL16548156 0.85 ROCK1 (0.42) PFKFB3ROCK1PRKG1PRKACAGSK3A

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-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-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 PFKFB3 3419/4885ROCK1 2574/4885PRKG1 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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