SCHEMBL23909011

SCHEMBL23909011

Clc1cc2[nH]ncc2cc1OCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
CNR2 P34972 11/20 0.39
KMO O15229 1/20 0.39
MAP2K1 Q02750 1/20 0.39
RHEB Q15382 1/20 0.39
NOS1 P29475 2/20 0.38
DYRK1A Q13627 1/20 0.38
CDK2 P24941 1/20 0.38
ROCK2 O75116 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
SCHEMBL23966793 0.84 TRPA1 (0.54) TRPA1TRPM8TRPV1CNR2CDK2
SCHEMBL23908907 0.83 TRPA1 (0.53) TRPA1TRPM8TRPV1CNR2NOS1
SCHEMBL22176847 0.80 TRPA1 (0.56) TRPA1TRPM8TRPV1CDK2ROCK2
SCHEMBL23915494 0.79 TRPA1 (0.49) TRPA1TRPM8TRPV1NOS1DYRK1A
SCHEMBL23914877 0.75 TRPA1 (0.40) TRPA1TRPM8TRPV1NOS1DYRK1A
SCHEMBL23914876 0.75 TRPA1 (0.49) TRPA1TRPM8TRPV1CNR2NOS1
SCHEMBL5414916 0.74 TRPA1 (0.49) TRPA1TRPM8TRPV1NOS1ROCK2
SCHEMBL9112701 0.74 TRPA1 (0.49) TRPA1TRPM8TRPV1NOS1DYRK1A
SCHEMBL29109556 0.73 AXL (0.60) TRPA1TRPM8TRPV1NOS1DYRK1A
SCHEMBL23915491 0.73 TRPA1 (0.52) TRPA1NOS1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 TRPA1 656/4885TRPM8 1596/4885TRPV1 316/4885

“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.