SCHEMBL16548161

SCHEMBL16548161

COc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(C(F)(F)F)cc3)c3ccccc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 12/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ROCK2 O75116 4/20 0.41
▸ ROCK1 Q13464 4/20 0.41
▸ PRKG1 Q13976 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ RPS6KA5 O75582 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ PRKACA P17612 1/20 0.41

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
SCHEMBL17939923 1.00 CASR (0.59) CASRSMN1; SMN2MEN1LMNAPOLB
SCHEMBL17939892 1.00 CASR (0.59) CASRSMN1; SMN2MEN1LMNAPOLB
Hydrochloric Acid SCHEMBL16540022 0.99 CASR (0.58) CASRSMN1; SMN2MEN1LMNAPOLB
SCHEMBL23587994 0.91 CASR (0.52) CASRSMN1; SMN2MEN1LMNAPOLB
SCHEMBL28818402 0.91 CASR (0.52) CASRSMN1; SMN2MEN1LMNAPOLB
SCHEMBL23588001 0.91 CASR (0.52) CASRSMN1; SMN2MEN1LMNAPOLB
SCHEMBL16548173 0.91 CASR (0.52) CASRSMN1; SMN2MEN1LMNAPOLB
Hydrochloric Acid SCHEMBL17939793 0.90 CASR (0.52) CASRSMN1; SMN2MEN1LMNAPOLB
Hydrochloric Acid SCHEMBL30175190 0.90 CASR (0.52) CASRSMN1; SMN2MEN1LMNAPOLB
Hydrochloric Acid SCHEMBL28818391 0.90 CASR (0.52) CASRSMN1; SMN2MEN1LMNAPOLB

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 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 (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 CASR 1/4885SMN1; SMN2 1164/4885MEN1 2646/4885

“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