SCHEMBL1818131

SCHEMBL1818131

NC1C2CN(c3ccc(C(=O)O)nn3)CC12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CHRNA7 P36544 4/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ EPHA2 P29317 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33

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
SCHEMBL5183213 0.79 PRKCQ (0.44) LMNAHTT
SCHEMBL1814804 0.78 LMNA (0.49) LMNAHTTCNR2HTR3A
SCHEMBL936514 0.77 HDAC1 (0.41) LMNAHTTCHRNA7ITGALCDK4
SCHEMBL1815996 0.76 SCD (0.58) —
SCHEMBL5184272 0.74 DCTPP1 (0.38) CHRNA7
SCHEMBL22042051 0.74 ACKR3 (0.45) LMNAHTT
SCHEMBL22042049 0.74 ACKR3 (0.45) LMNAHTT
SCHEMBL20021209 0.73 CYP1A2 (0.53) LMNAHTTCNR2
SCHEMBL15754487 0.73 LMNA (0.50) LMNAHTTCNR2
SCHEMBL22557496 0.71 LMNA (0.41) LMNAHTTCNR2

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-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 — — US disclosed
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 — — US disclosed
EP-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 — — EP disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 — — 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-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase SCD, SCD5, NR1H2 LMNA 475/4885HTT 2478/4885CHRNA7 2979/4885

“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