SCHEMBL23908907

SCHEMBL23908907

Brc1cc2[nH]ncc2cc1OCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
AXL P30530 1/20 0.50
CDK2 P24941 2/20 0.40
NOS1 P29475 2/20 0.38
METAP2 P50579 2/20 0.38
CSNK2A1 P68400 1/20 0.38
DYRK1A Q13627 1/20 0.38
CHEK1 O14757 1/20 0.37
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
CNR2 P34972 1/20 0.36
TLR8 Q9NR97 1/20 0.35
EP300 Q09472 1/20 0.35
IKBKB O14920 2/20 0.34

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) TRPA1TRPM8TRPV1AXLCDK2
SCHEMBL23909011 0.83 TRPA1 (0.53) TRPA1TRPM8TRPV1CDK2NOS1
SCHEMBL22176847 0.80 TRPA1 (0.56) TRPA1TRPM8TRPV1AXLCDK2
SCHEMBL23914618 0.79 AXL (0.59) TRPA1AXLNOS1METAP2CSNK2A1
SCHEMBL23915493 0.75 AXL (0.51) TRPA1TRPM8TRPV1AXLNOS1
SCHEMBL25115128 0.74 PIM1 (0.44) TRPA1TRPM8TRPV1CDK2NOS1
SCHEMBL5414916 0.74 TRPA1 (0.49) TRPA1TRPM8TRPV1NOS1METAP2
SCHEMBL9112701 0.74 TRPA1 (0.49) TRPA1TRPM8TRPV1NOS1METAP2
SCHEMBL680200 0.73 AXL (0.87) TRPA1TRPM8AXLNOS1METAP2
SCHEMBL680033 0.73 AXL (0.49) AXLNOS1METAP2CSNK2A1DYRK1A

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 4 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
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.