SCHEMBL25975689

SCHEMBL25975689

CC(C)n1cnc(-c2ccc(C#N)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR1D P28221 1/20 0.40
HTR7 P34969 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CHEK1 O14757 1/20 0.39
MAOB P27338 1/20 0.38
ALDH1A3 P47895 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 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
SCHEMBL12251008 0.83 CLK4 (0.47) MAOBALDH1A3EGLN2KDRCYP11B1
SCHEMBL25975674 0.80 CNR1 (0.43) NPC1RAB9AGAAALDH1A3CNR1
SCHEMBL1304429 0.78 CYP2E1 (0.47) NPC1RAB9AGAAHTR2AHTR2C
SCHEMBL12276971 0.78 NPC1 (0.45) NPC1RAB9AHRH4CNR1KDR
SCHEMBL25975917 0.74 SYK (0.42) HRH3CHEK1CNR1
SCHEMBL10664108 0.73 NPC1 (0.53) NPC1RAB9AGAAHTR2AHTR2C
SCHEMBL27661906 0.72 CLK4 (0.45) MAOBALDH1A3EGLN2KDRCYP11B1
SCHEMBL28787795 0.71 NPC1 (0.40) NPC1RAB9APHGDHKDRCYP19A1
SCHEMBL12302901 0.70 CTSS (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10316090 0.70 NPC1 (0.56) NPC1RAB9AMAOBALDH1A3GABRA1

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
US-20250163049-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS EXELIXIS INC (US) 2025-05-22 US disclosed
EP-4472946-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS Exelixis, Inc. (US) 2024-12-11 EP disclosed
WO-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 WO disclosed
WO-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 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-20250163049-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS USP1, USP2, SUMO1 NPC1 1582/4885RAB9A 630/4885IRAK4 2586/4885

“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.