SCHEMBL16548172

SCHEMBL16548172

COC(=O)c1cc(-c2cc(C=O)cc3ccccc23)ccc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ TACR3 P29371 1/20 0.37
▸ NR4A2 P43354 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL16548221 0.86 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL16548171 0.85 SLC6A4 (0.45) SLC6A3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL16548241 0.85 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL16548206 0.85 ALDH1A1 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL16548285 0.81 ERN1 (0.53) ALDH1A1ERN1NPC1RAB9A
SCHEMBL14084343 0.76 ALDH1A1 (0.50) SLC6A3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL16548283 0.75 ALDH1A1 (0.44) SLC6A3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL16548286 0.75 ALDH1A1 (0.44) SLC6A3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL16539732 0.75 MCL1 (0.48) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL17945069 0.72 MEN1 (0.55) ALDH1A1KDM4EHPGDGPR84MAPT

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 SLC6A3 1238/4885SLC6A2 693/4885SLC6A4 651/4885

“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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