SCHEMBL17939844

SCHEMBL17939844

COc1cc(F)cc([C@@H](C)NC(C)c2cc(-c3cc(F)cc(CCC(=O)OC(C)C)c3)c3ccccc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.37
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ CASR P41180 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.31
▸ WDR5 P61964 3/20 0.31
▸ KLK7 P49862 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16548134 1.00 PPARG (0.37) PPARGHSD17B1HSD17B2MTNR1AMTNR1B
SCHEMBL17939841 0.94 CASR (0.40) MTNR1AMTNR1BCASRKMT2AMEN1
SCHEMBL16548150 0.94 CASR (0.40) MTNR1AMTNR1BCASRKMT2AMEN1
SCHEMBL16548252 0.91 PPARG (0.40) PPARGHSD17B1CDC25B
Hydrochloric Acid SCHEMBL17939982 0.90 PPARG (0.40) PPARGHSD17B1CD274CDC25B
SCHEMBL18609946 0.88 PPARG (0.37) PPARGHSD17B1WDR5KLK7MAPT
SCHEMBL18584441 0.88 PPARG (0.37) PPARGHSD17B1WDR5KLK7MAPT
SCHEMBL17939815 0.88 PFKFB3 (0.36) PPARGCASRALDH1A1
SCHEMBL16548229 0.88 PFKFB3 (0.36) PPARGCASRALDH1A1
SCHEMBL17939866 0.87 CASR (0.38) MTNR1AMTNR1BCASRMAPTKMT2A

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 4 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 claimed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US claimed
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 876/4885HSD17B1 1120/4885HSD17B2 1190/4885

“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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