SCHEMBL17945975

SCHEMBL17945975

CCOc1cccc([C@@H](C)NC(CC)c2cc(-c3ccc(F)c(CCC(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ PTGER1 P34995 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL18215373 1.00 PTGS2 (0.40) PTGS2PDE1APDE1BPDE1CFFAR1
Hydrochloric Acid SCHEMBL17939874 0.99 PTGS2 (0.39) PTGS2PDE1APDE1BPDE1CFFAR1
SCHEMBL18215341 0.94 PTGS2 (0.41) PTGS2PDE1APDE1BPDE1CFFAR1
SCHEMBL17945191 0.94 PTGS2 (0.41) PTGS2PDE1APDE1BPDE1CFFAR1
Hydrochloric Acid SCHEMBL17939924 0.94 PTGS2 (0.41) PTGS2PDE1APDE1BPDE1CFFAR1
SCHEMBL16548235 0.93 CASR (0.39) FFAR1LMNA
SCHEMBL16548227 0.92 PTGS2 (0.37) PTGS2PDE1APDE1BPDE1CLMNA
SCHEMBL16540116 0.92 PTGS2 (0.37) PTGS2PDE1APDE1BPDE1CLMNA
Hydrochloric Acid SCHEMBL17939882 0.92 CASR (0.39) FFAR1LMNA
SCHEMBL16548113 0.89 FFAR1 (0.36) FFAR1FFAR4BCL2L1PTGER1PTGER4

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
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 PTGS2 434/4885PDE1A 553/4885PDE1B 587/4885

“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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