SCHEMBL23645702

SCHEMBL23645702

CC(C)C[C@@H]1CCN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 3/20 0.35
KAT2B Q92831 2/20 0.32
KAT2A Q92830 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PIK3CD O00329 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
SCHEMBL22020557 1.00 NCF1 (0.44) NCF1CYP1A2CYP2D6OPRK1KAT2B
SCHEMBL8235125 1.00 NCF1 (0.44) NCF1CYP1A2CYP2D6OPRK1KAT2B
SCHEMBL102076 0.88 NCF1 (0.52) NCF1OPRK1MEN1MITFKMT2A
SCHEMBL19010154 0.86 CHRM2 (0.38) NCF1CYP2D6OPRK1KAT2BKAT2A
SCHEMBL19010165 0.86 CHRM2 (0.38) NCF1CYP2D6OPRK1KAT2BKAT2A
SCHEMBL9925436 0.86 CHRM2 (0.38) NCF1CYP2D6OPRK1KAT2BKAT2A
SCHEMBL19122763 0.85 CHRM5 (0.35) CYP2D6OPRK1KAT2BCHRM2CHRM1
SCHEMBL30831689 0.84 NCF1 (0.48) NCF1CYP1A2CYP2D6CHRM2CHRM1
SCHEMBL22302354 0.82 NCF1 (0.39) NCF1OPRK1
SCHEMBL10154735 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-08-05 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 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 (6 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-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS KDM1A, KDM4A, KDM1B NCF1 2944/4885CYP1A2 618/4885CYP2D6 713/4885
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES KRAS, NRAS, HRAS NCF1 2377/4885CYP1A2 1287/4885CYP2D6 333/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT NCF1 975/4885CYP1A2 162/4885CYP2D6 251/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS NCF1 2377/4885CYP1A2 1287/4885CYP2D6 333/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 NCF1 2369/4885CYP1A2 2701/4885CYP2D6 1788/4885
US-20230023009-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NCF1 1125/4885CYP1A2 3378/4885CYP2D6 2533/4885

“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.