SCHEMBL7634046

SCHEMBL7634046

CC1CCC(O)C(CN)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
EPHX2 P34913 1/20 0.34
GABRR1 P24046 4/20 0.32
GABRR2 P28476 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 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
SCHEMBL7571291 0.82 TRPA1 (0.43) TRPA1TRPM8EPHX2GABRR1GABRR2
SCHEMBL805178 0.81 TRPA1 (0.41) TRPA1TRPM8CA1CA2CA4
SCHEMBL3479924 0.79 TRPA1 (0.40) TRPA1TRPM8EPHX2CA1CA2
SCHEMBL12166555 0.79 TRPA1 (0.40) TRPA1TRPM8CA1CA2CA4
SCHEMBL13916212 0.79 TRPA1 (0.40) TRPA1TRPM8EPHX2CA1CA2
SCHEMBL12413525 0.78 TRPA1 (0.36) TRPA1TRPM8
SCHEMBL12077578 0.78 TRPA1 (0.33) TRPA1TRPM8EPHX2GABRR1GABRR2
SCHEMBL3539422 0.76 EPHX2 (0.32) EPHX2GABRR1GABRR2
SCHEMBL12166561 0.76 CA1 (0.54) TRPA1TRPM8CA1CA2CA4
SCHEMBL22482026 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168380-A1 PROCESS FOR SYNTHESIZING CYCLIC PEPTIDE COMPOUND THE UNIVERSITY OF TOKYO (JP) 2010-07-01 US disclosed
EP-0866052-B1 Process for the preparation of 1-amino-1-methyl-3(4)-aminomethylcyclohexane BAYER AG (DE) 2002-11-20 EP disclosed
US-4835239-A Diisocyanates and their use for the preparation of polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1989-05-30 US disclosed
EP-0193828-B1 POLYISOCYANATES CONTAINING ISOCYANURATE GROUPS, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ISOCYANATE COMPONENTS IN THE PRODUCTION OF POLYURETHANE LACQUERS BAYER AG (DE) 1988-04-27 EP disclosed
EP-0153561-B1 DIISOCYANATES AND THEIR USE IN THE PRODUCTION OF POLYURETHANE PLASTICS BAYER AG (DE) 1987-08-12 EP disclosed
US-4613685-A Aliphatic-cycloaliphatic diisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1986-09-23 US disclosed
EP-0193828-A1 Polyisocyanates containing isocyanurate groups, process for their production and their use as isocyanate components in the production of polyurethane lacquers BAYER AG (DE) 1986-09-10 EP disclosed
EP-0153561-A1 Diisocyanates and their use in the production of polyurethane plastics BAYER AG (DE) 1985-09-04 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-20100168380-A1 PROCESS FOR SYNTHESIZING CYCLIC PEPTIDE COMPOUND VIP, NGLY1, QPCT TRPA1 3810/4885TRPM8 3152/4885EPHX2 2738/4885

“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.