SCHEMBL23909109

SCHEMBL23909109

Nc1cc(Cl)c(OCC2CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 3/20 0.42
CNR2 P34972 8/20 0.41
KMO O15229 2/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
CDK2 P24941 1/20 0.39
MCHR1 Q99705 2/20 0.38
DHFR P00374 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
SCHEMBL23909106 0.78 XDH (0.46) TRPC6
SCHEMBL23908770 0.77 HTR2C (0.41) CNR2KMOHTR2CHTR2B
SCHEMBL23914588 0.76 TRPA1 (0.44) TRPC6CNR2HTR2CCDK2MCHR1
SCHEMBL2562599 0.75 KMO (0.47) KMOHTR2CHTR2B
SCHEMBL30781076 0.75 KMO (0.47) KMOHTR2CHTR2B
SCHEMBL22023311 0.74 XDH (0.44) TRPC6CDK2
SCHEMBL29596850 0.74 XDH (0.44) TRPC6CDK2
SCHEMBL5241392 0.72 CNR2 (0.38) CNR2KMOHTR2CHTR2B
SCHEMBL9873759 0.72 FFAR4 (0.44) HTR2CHTR2B
SCHEMBL10003961 0.72 CNR2 (0.38) CNR2KMOHTR2CHTR2BDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
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 TRPC6 1029/4885CNR2 17/4885KMO 2034/4885

“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.