SCHEMBL16548130

SCHEMBL16548130

COC(=O)c1cc(-c2cc(C(C)=O)cc3ccccc23)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.46
▸ SLC6A3 Q01959 3/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ GPR84 Q9NQS5 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL16548207 0.91 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16540066 0.87 SLC6A3 (0.47) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548087 0.86 KMT2A (0.47) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548090 0.85 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL18231377 0.85 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548289 0.84 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548208 0.83 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548215 0.83 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16548241 0.82 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2ALDH1A1HPGD
SCHEMBL16539654 0.81 AR (0.48) ALDH1A1HPGDKDM4ENPSR1MAPT

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

“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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