SCHEMBL5183213

SCHEMBL5183213

NC1CCN(c2ccc(C(=O)O)nn2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HRH4 Q9H3N8 9/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ DCTPP1 Q9H773 2/20 0.38
▸ SCD O00767 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
SCHEMBL1814804 0.91 LMNA (0.49) PRKCQLMNAHTTHRH3DCTPP1
SCHEMBL22042049 0.84 ACKR3 (0.45) LMNAHTTDCTPP1SCD
SCHEMBL22042051 0.84 ACKR3 (0.45) LMNAHTTDCTPP1SCD
SCHEMBL15754487 0.80 LMNA (0.50) LMNAHTTDCTPP1SCD
SCHEMBL1818131 0.79 LMNA (0.36) LMNAHTT
SCHEMBL9005452 0.78 PRKCQ (0.63) PRKCQHRH4HRH3
SCHEMBL1816387 0.77 SCD (0.54) DCTPP1SCD
SCHEMBL1814064 0.77 LMNA (0.47) LMNAHTTDCTPP1SCD
SCHEMBL18890104 0.76 HRH4 (0.46) HRH4HRH3
SCHEMBL19489627 0.75 KMO (0.57) PRKCQHRH4HRH3

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-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 — — US disclosed
CN-101084212-A Heterocyclic derivatives and their use as mediators of stearoyl-coa desaturase XENON PHARMACEUTICALS INC (CA) 2007-12-05 — — CN 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 PRKCQ 1602/4885LMNA 475/4885HTT 2478/4885

“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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