SCHEMBL31003115

SCHEMBL31003115

Cc1ccc(C(C)O)nc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL10391846 0.81 NOS3 (0.46) NOS3NOS1NOS2CYP1A2TRPA1
SCHEMBL588457 0.78 PDE2A (0.33) HTR2AHTR2CHTR2BPDE2APDE10A
SCHEMBL24122998 0.78 RAB9A (0.35) HTR2AHTR2CHTR2BKMT2AKDM4E
SCHEMBL30374033 0.78 PDE2A (0.33) HTR2AHTR2CHTR2BPDE2APDE10A
SCHEMBL30325993 0.78 RAB9A (0.35) HTR2AHTR2CHTR2BKMT2AKDM4E
SCHEMBL16021133 0.77 NOS3 (0.43) NOS3NOS1NOS2OPRK1KMT2A
SCHEMBL16414534 0.77 NOS3 (0.48) NOS3NOS1NOS2
SCHEMBL31003128 0.75 KDM4E (0.49) KMT2AKDM4EHPGDHSD17B10
SCHEMBL171074 0.75 KDM4E (0.49) KMT2AKDM4EHPGDHSD17B10
SCHEMBL25707004 0.74 NOS3 (0.44) NOS3NOS1NOS2KMT2ACYP1A2

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
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 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-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK NOS3 3707/4885NOS1 3007/4885NOS2 2948/4885

“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.