SCHEMBL17945890

SCHEMBL17945890

COc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(OC)c(CCC(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.41
▸ ROCK1 Q13464 6/20 0.41
▸ ROCK2 O75116 5/20 0.41
▸ BCL2L1 Q07817 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 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
Hydrochloric Acid SCHEMBL16540215 0.99 CASR (0.40) CASRROCK1ROCK2BCL2L1MEN1
SCHEMBL16548163 0.93 CASR (0.41) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL18215342 0.93 CASR (0.41) CASRROCK1ROCK2MEN1KMT2A
Hydrochloric Acid SCHEMBL16540254 0.92 CASR (0.40) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL16548158 0.91 CASR (0.41) CASRROCK1ROCK2MTNR1AMTNR1B
SCHEMBL17950569 0.91 CASR (0.39) CASRROCK1ROCK2BCL2L1MEN1
Hydrochloric Acid SCHEMBL16539996 0.91 CASR (0.41) CASRROCK1ROCK2MTNR1AMTNR1B
SCHEMBL16540176 0.91 CASR (0.39) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL16548188 0.91 CASR (0.39) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL16541124 0.90 POLB (0.41) CASRROCK1ROCK2MTNR1AMTNR1B

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 4 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

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 2574/4885ROCK2 2986/4885

“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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