SCHEMBL30643149

SCHEMBL30643149

Brc1ccc2c(c1)C1(CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.53
APP P05067 1/20 0.53
KDM1A O60341 1/20 0.47
SIGMAR1 Q99720 13/20 0.39
DRD2 P14416 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2B P41595 1/20 0.37
MTOR P42345 1/20 0.37
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 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
SCHEMBL12077824 0.88 KDM1A (0.55) BACE1APPKDM1ASIGMAR1TP53
SCHEMBL2501672 0.81 BACE1 (0.45) BACE1APPKDM1ASIGMAR1DRD2
SCHEMBL20449248 0.78 BACE1 (0.48) BACE1APPKDM1APNMTASIC3
SCHEMBL2012588 0.78 BACE1 (0.51) BACE1APPKDM1AHTR2AHTR2C
SCHEMBL18373193 0.76 KDM1A (0.47) BACE1APPKDM1ASIGMAR1HTR2A
SCHEMBL24275639 0.76 BACE1 (0.49) BACE1APPKDM1AHTR2AHTR2C
SCHEMBL17920089 0.76 BACE1 (0.49) BACE1APPKDM1APNMT
SCHEMBL29577179 0.76 BACE1 (0.49) BACE1APPKDM1APNMT
SCHEMBL17586452 0.74 KDM1A (0.46) BACE1APPKDM1ASIGMAR1DRD2
SCHEMBL30643117 0.74 BACE1 (0.44) BACE1APPKDM1APNMTASIC3

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-4519267-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-03-12 EP disclosed
US-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-02-27 US disclosed
CN-119156389-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-12-17 CN disclosed
WO-2023213271-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-11-09 WO 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-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CDK1, CDK2, CDK4 BACE1 1532/4885APP 3381/4885KDM1A 1122/4885

“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.