SCHEMBL16548192

SCHEMBL16548192

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 9/20 0.48
▸ ROCK2 O75116 8/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASR P41180 4/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PRKG1 Q13976 2/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40

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 SCHEMBL16540436 0.99 ROCK1 (0.47) ROCK1ROCK2SMN1; SMN2CASRMTNR1A
SCHEMBL16548155 0.93 SMN1; SMN2 (0.44) ROCK1ROCK2SMN1; SMN2CASRMTNR1A
Hydrochloric Acid SCHEMBL16540274 0.92 SMN1; SMN2 (0.43) ROCK1ROCK2SMN1; SMN2CASRMTNR1A
SCHEMBL16548224 0.90 ROCK1 (0.46) ROCK1ROCK2SMN1; SMN2CASRMTNR1A
SCHEMBL17939940 0.90 ROCK1 (0.46) ROCK1ROCK2SMN1; SMN2CASRMTNR1A
SCHEMBL16548165 0.90 ROCK1 (0.47) ROCK1ROCK2CASRPPARGPRKG1
Hydrochloric Acid SCHEMBL16540143 0.89 ROCK1 (0.47) ROCK1ROCK2CASRPPARGPRKG1
SCHEMBL16548154 0.89 ROCK1 (0.48) ROCK1ROCK2CASRMTNR1AMTNR1B
SCHEMBL16548321 0.89 ROCK1 (0.44) ROCK1ROCK2CASRMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL16540150 0.88 ROCK1 (0.47) ROCK1ROCK2CASRMTNR1AMTNR1B

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 2986/4885SMN1; SMN2 1164/4885

“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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