SCHEMBL23909099

SCHEMBL23909099

Cc1cc(OCC2CC2)c(Cl)cc1N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
SCN9A Q15858 4/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
KMO O15229 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CD44 P16070 1/20 0.37
DCPS Q96C86 1/20 0.37

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
SCHEMBL23915543 0.94 CNR2 (0.40) CNR2SCN9AHTR2CHTR2BKMO
SCHEMBL23908770 0.86 HTR2C (0.41) CNR2SCN9AHTR2CHTR2BKMO
SCHEMBL16135136 0.85 CYP3A4 (0.40) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL20201737 0.85 CNR2 (0.40) CNR2SCN9AKMO
SCHEMBL5241392 0.84 CNR2 (0.38) CNR2SCN9AHTR2CHTR2BKMO
SCHEMBL30780907 0.81 SCN9A (0.46) SCN9A
SCHEMBL27267930 0.81 SCN9A (0.46) SCN9A
SCHEMBL20201733 0.81 SCN9A (0.46) SCN9A
SCHEMBL23966498 0.79 NOS3 (0.39) CNR2HTR2CNOS3NOS1NOS2
SCHEMBL20201700 0.78 ALDH1A1 (0.42) CNR2HTR2CHTR2BKMO

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 CNR2 17/4885SCN9A 3355/4885HTR2C 1276/4885

“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.