SCHEMBL5114601

SCHEMBL5114601

CCCC(C[O])C1CC(C)CCC1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.42
TRPA1 O75762 2/20 0.42
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 1/20 0.35
KCNA5 P22460 1/20 0.34
CYP19A1 P11511 2/20 0.32
TRPV1 Q8NER1 2/20 0.31
LMNA P02545 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL5114606 0.83 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL11215068 0.83 TRPM8 (0.42) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL7766491 0.81 TRPM8 (0.40) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL21380098 0.76 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL1862576 0.76 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL10713470 0.73 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL30604482 0.73 TRPM8 (0.62) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL25831066 0.73 TRPM8 (0.53) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL21380222 0.72 EPHX1 (0.43) TRPM8TRPA1EPHX1KCNA5CYP19A1
SCHEMBL5501055 0.71 OPRM1 (0.47) TRPM8TRPA1EPHX1ALDH1A1OPRM1

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-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 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 (3 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 TRPM8 2187/4885TRPA1 1234/4885EPHX1 2595/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 TRPM8 2187/4885TRPA1 1234/4885EPHX1 2595/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 TRPM8 2187/4885TRPA1 1234/4885EPHX1 2595/4885

“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.