SCHEMBL16548307

SCHEMBL16548307

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PFKFB3 Q16875 4/20 0.44
▸ CASR P41180 10/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ROCK1 Q13464 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ SQOR Q9Y6N5 1/20 0.41
▸ RPS6KA5 O75582 1/20 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
▸ CDK2 P24941 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AKT1 P31749 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 SCHEMBL17939978 0.99 MEN1 (0.46) MEN1KMT2APFKFB3CASRSLC6A2
SCHEMBL17945927 0.88 CASR (0.41) PFKFB3CASRSLC6A2SLC6A4ROCK1
SCHEMBL17939923 0.88 CASR (0.59) MEN1KMT2ACASRSLC6A2SLC6A4
SCHEMBL17939892 0.88 CASR (0.59) MEN1KMT2ACASRSLC6A2SLC6A4
SCHEMBL18215344 0.88 CASR (0.41) PFKFB3CASRSLC6A2SLC6A4ROCK1
SCHEMBL17950566 0.88 CASR (0.45) MEN1KMT2ACASRSLC6A2SLC6A4
SCHEMBL16548161 0.88 CASR (0.59) MEN1KMT2ACASRSLC6A2SLC6A4
SCHEMBL17950564 0.87 CASR (0.42) PFKFB3CASRSLC6A2SLC6A4ROCK1
Hydrochloric Acid SCHEMBL16540022 0.87 CASR (0.58) MEN1KMT2ACASRSLC6A2SLC6A4
SCHEMBL16548293 0.87 CASR (0.45) PFKFB3CASRSLC6A2SLC6A4ROCK1

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 MEN1 2646/4885KMT2A 4618/4885PFKFB3 3419/4885

“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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