SCHEMBL17950563

SCHEMBL17950563

CC(N[C@H](C)c1cccc(Cl)c1)c1cc(-c2ccc(CF)cc2)c2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.38
▸ CASR P41180 8/20 0.36
▸ ADRB1 P08588 3/20 0.34
▸ ADRB3 P13945 3/20 0.34
▸ SLC2A1 P11166 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ NR3C2 P08235 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ COASY Q13057 1/20 0.32

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
SCHEMBL18231381 0.91 CASR (0.38) PPARGCASRADRB1ADRB3DYRK1A
SCHEMBL17950477 0.89 CASR (0.40) PPARGCASRDYRK1A
SCHEMBL16548305 0.87 KIT (0.39) CASRDYRK1ACOASY
Hydrochloric Acid SCHEMBL17939951 0.86 KIT (0.39) CASRDYRK1ACOASY
SCHEMBL17950695 0.86 SLC2A1 (0.38) PPARGCASRADRB1ADRB3SLC2A1
SCHEMBL17950566 0.86 CASR (0.45) PPARGCASR
SCHEMBL17950694 0.85 CASR (0.38) PPARGCASRADRB1
SCHEMBL17950478 0.85 PPARG (0.41) PPARGCASR
SCHEMBL16548225 0.84 CASR (0.54) CASR
SCHEMBL18215343 0.84 CASR (0.54) CASR

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 2 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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US 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 PPARG 876/4885CASR 1/4885ADRB1 129/4885

“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.

Send feedback