SCHEMBL23126972

SCHEMBL23126972

CCc1ccc(C2CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.40
PANK3 Q9H999 5/20 0.39
HTR6 P50406 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TRPA1 O75762 1/20 0.36
BRD4 O60885 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL26923285 0.92 PANK3 (0.38) OPRL1PANK3HTR6KDM5AKDM4C
SCHEMBL11366020 0.91 NUDT1 (0.43) OPRL1PANK3HTR6
SCHEMBL22502738 0.88 OPRL1 (0.45) OPRL1HTR6KDM5AKDM4CBRD4
SCHEMBL25085586 0.88 HTR6 (0.51) HTR6
SCHEMBL22860585 0.87 OPRL1 (0.46) OPRL1PANK3HTR6BRD4
SCHEMBL8774102 0.86 PANK3 (0.38) OPRL1PANK3HTR6KDM5AKDM4C
SCHEMBL9158929 0.86 PANK3 (0.35) OPRL1PANK3HTR6KDM5AKDM4C
SCHEMBL8774094 0.86 PANK3 (0.38) OPRL1PANK3HTR6KDM5AKDM4C
SCHEMBL9158916 0.86 PANK3 (0.35) OPRL1PANK3HTR6KDM5AKDM4C
SCHEMBL18295013 0.85 SOS1 (0.40) OPRL1HTR6TRPA1BRD4KDM1A

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
WO-2024059661-A1 N-(BENZHYDRYL)CYCLOALKYLCARBOXAMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-20230241012-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2023-08-03 US disclosed
US-10952978-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-03-23 US 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 (2 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-10952978-B2 Hepatitis B antiviral agents HAVCR2, PYGL, SLC10A1 OPRL1 3720/4885PANK3 4069/4885HTR6 4714/4885
US-20230241012-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 OPRL1 3720/4885PANK3 4069/4885HTR6 4714/4885

“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.