SCHEMBL5372887

SCHEMBL5372887

Cc1ncc(N2CCC(O)C2)n1CCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE10A Q9Y233 2/20 0.36
AOC3 Q16853 1/20 0.34
CNR2 P34972 11/20 0.34
TRPV1 Q8NER1 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
SMO Q99835 1/20 0.33
CACNA2D1 P54289 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32

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
SCHEMBL5373081 0.81 PDE10A (0.37) PDE10AAOC3CNR2IRAK1IRAK4
SCHEMBL5378533 0.81 IRAK4 (0.38) LMNAMAPK1CNR2IRAK1IRAK4
SCHEMBL5368015 0.79 ALDH1A1 (0.50) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL5371582 0.78 ALDH1A1 (0.49) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL5371106 0.74 KMT2A (0.35) PDE10ACNR2SMO
SCHEMBL5369126 0.71 CNR2 (0.36) PDE10AAOC3CNR2CDK4CDK6
SCHEMBL5378305 0.71 AVPR1A (0.40) ALDH1A1PDE10ACNR2CDK4CDK6
SCHEMBL5371109 0.71 CNR2 (0.36) CNR2
SCHEMBL5372890 0.69 CNR2 (0.37) PDE10ACNR2CDK4CDK6
SCHEMBL5383817 0.69 IRAK4 (0.41) ALDH1A1LMNAMAPK1PDE10ACNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US claimed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US claimed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 EP claimed
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US disclosed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US disclosed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 EP 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-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers KRT18, VIM, NDUFS6 ALDH1A1 415/4885LMNA 1593/4885THRB 4854/4885

“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.