SCHEMBL17939957

SCHEMBL17939957

CCCOc1cccc(C(C)NCc2cc(-c3ccc(C)c(C(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 5/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ PRKACA P17612 2/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ PRKX P51817 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ AKT2 P31751 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ PRKG2 Q13237 1/20 0.42
▸ PRKG1 Q13976 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ MINK1 Q8N4C8 1/20 0.42
▸ HIPK4 Q8NE63 1/20 0.42

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
SCHEMBL16548317 1.00 CASR (0.42) CASRROCK1PRKACAGSK3AGSK3B
Hydrochloric Acid SCHEMBL17939967 0.99 CASR (0.42) CASRROCK1PRKACAGSK3AGSK3B
Hydrochloric Acid SCHEMBL17939965 0.99 CASR (0.42) CASRROCK1PRKACAGSK3AGSK3B
SCHEMBL16548315 0.93 CASR (0.44) CASRKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL16540583 0.93 CASR (0.44) CASRKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL17945140 0.93 CASR (0.44) CASRROCK1PRKACAGSK3AGSK3B
Hydrochloric Acid SCHEMBL17939907 0.93 CASR (0.43) CASRKDM4EALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL17939905 0.93 CASR (0.43) CASRKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL17945938 0.90 CASR (0.54) CASRROCK1PRKACAGSK3AGSK3B
SCHEMBL17939825 0.90 CASR (0.54) CASRROCK1PRKACAGSK3AGSK3B

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 CASR 1/4885ROCK1 2574/4885PRKACA 3534/4885

“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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