SCHEMBL22551561

SCHEMBL22551561

CC(N)C1CCCC(C)C1C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 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
SCHEMBL8232754 0.85
SCHEMBL24425932 0.85
SCHEMBL24571704 0.80 CA1 (0.42) CA1CA2CA4
SCHEMBL4365281 0.80 TRPA1 (0.38) CA1CA2CA4
SCHEMBL3453446 0.79
SCHEMBL2782632 0.73 THRB (0.32) CA1CA2CA4
SCHEMBL1987866 0.73 CA1 (0.35) CA1CA2CA4
SCHEMBL21432873 0.73 CA1 (0.31) CA1CA2CA4
SCHEMBL24592494 0.72 CA1 (0.38) CA1CA2CA4
SCHEMBL25758304 0.72 TRPA1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
EP-3724251-A1 IONIC HYDROPHILIZED POLYISOCYANATES, WATER CONTENT Covestro Intellectual Property GmbH & Co. KG (DE) 2020-10-21 EP disclosed
CN-110396173-A Ionic hydrophilic polyisocyanates and free radical scavenger and/or peroxide decomposer COVESTRO DEUTSCHLAND AG 2019-11-01 CN 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-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV CA1 4644/4885CA2 3868/4885CA4 4001/4885

“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.