SCHEMBL16548173

SCHEMBL16548173

CCC(N[C@H](C)c1cccc(OC)c1)c1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 14/20 0.52
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ROCK2 O75116 4/20 0.38
▸ ROCK1 Q13464 4/20 0.38
▸ PRKG1 Q13976 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ PRKACA P17612 1/20 0.38

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
SCHEMBL23587994 1.00 CASR (0.52) CASRMEN1LMNAPOLBHTT
SCHEMBL23588001 1.00 CASR (0.52) CASRMEN1LMNAPOLBHTT
SCHEMBL28818402 1.00 CASR (0.52) CASRMEN1LMNAPOLBHTT
Hydrochloric Acid SCHEMBL28818392 0.99 CASR (0.52) CASRMEN1LMNAPOLBHTT
Hydrochloric Acid SCHEMBL30175190 0.99 CASR (0.52) CASRMEN1LMNAPOLBHTT
Hydrochloric Acid SCHEMBL17939793 0.99 CASR (0.52) CASRMEN1LMNAPOLBHTT
Hydrochloric Acid SCHEMBL28818391 0.99 CASR (0.52) CASRMEN1LMNAPOLBHTT
SCHEMBL17939892 0.91 CASR (0.59) CASRMEN1LMNAPOLBHTT
SCHEMBL17939923 0.91 CASR (0.59) CASRMEN1LMNAPOLBHTT
SCHEMBL16548161 0.91 CASR (0.59) CASRMEN1LMNAPOLBHTT

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-20230049917-A1 Pharmaceutical Composition of CASR Modulators and Methods and Uses Thereof LUPIN LIMITED (IN) 2023-02-16 — — US disclosed
WO-2021130779-A1 PHARMACEUTICAL COMPOSITION OF CASR MODULATORS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-07-01 — — WO 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
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 (2 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-20230049917-A1 Pharmaceutical Composition of CASR Modulators and Methods and Uses Thereof CASR, CALCR, PTH1R CASR 1/4885MEN1 744/4885LMNA 3021/4885
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 CASR 1/4885MEN1 2646/4885LMNA 1996/4885

“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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