SCHEMBL16548155

SCHEMBL16548155

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASR P41180 4/20 0.42
▸ ROCK2 O75116 8/20 0.42
▸ ROCK1 Q13464 8/20 0.42
▸ EIF4E P06730 1/20 0.42
▸ 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
▸ CDC25B P30305 1/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ NEK2 P51955 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ PRKG1 Q13976 2/20 0.39
▸ MTNR1A P48039 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 SCHEMBL16540274 0.99 SMN1; SMN2 (0.43) SMN1; SMN2CASRROCK2ROCK1EIF4E
SCHEMBL16548192 0.93 ROCK1 (0.48) SMN1; SMN2CASRROCK2ROCK1EIF4E
Hydrochloric Acid SCHEMBL16540436 0.92 ROCK1 (0.47) SMN1; SMN2CASRROCK2ROCK1EIF4E
SCHEMBL16548321 0.91 ROCK1 (0.44) CASRROCK2ROCK1PPARGCDC25B
SCHEMBL17939812 0.90 SMN1; SMN2 (0.42) SMN1; SMN2CASRROCK2ROCK1GSK3A
SCHEMBL16548228 0.90 SMN1; SMN2 (0.42) SMN1; SMN2CASRROCK2ROCK1GSK3A
Hydrochloric Acid SCHEMBL16539994 0.90 ROCK1 (0.44) CASRROCK2ROCK1PPARGCDC25B
SCHEMBL17945552 0.89 ROCK1 (0.44) CASRROCK2ROCK1PPARGCDC25B
Hydrochloric Acid SCHEMBL16539618 0.88 ROCK1 (0.43) CASRROCK2ROCK1PPARGCDC25B
SCHEMBL16548165 0.88 ROCK1 (0.47) CASRROCK2ROCK1PPARGCDC25B

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 SMN1; SMN2 1164/4885CASR 1/4885ROCK2 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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