SCHEMBL22020562

SCHEMBL22020562

CCN1CCC[C@@H](CC(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CCR2 P41597 3/20 0.34
KCNH2 Q12809 2/20 0.34
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL9925435 1.00 CYP3A4 (0.35) CYP3A4CYP1A2CYP2D6KDM4EDRD2
SCHEMBL12563470 0.88 SMN1; SMN2 (0.34) ACHE
SCHEMBL26345081 0.85 PIK3CD (0.41) KDM4ECHRM5ADRA2CACHE
SCHEMBL14277287 0.83 HSD11B1 (0.35) CYP3A4CYP1A2CYP2D6DRD2DRD3
SCHEMBL10052290 0.83 CARM1 (0.37) KDM4EDRD2DRD3CHRM5ADRA2C
SCHEMBL22917561 0.82 CHRM5 (0.33) CYP3A4CYP1A2CYP2D6KDM4EDRD2
SCHEMBL18844599 0.81 CHRM5 (0.42) CYP3A4CYP1A2KDM4ECHRM5ADRA2C
SCHEMBL20227964 0.80 CCR2 (0.34) CYP3A4CYP1A2CYP2D6DRD2DRD3
SCHEMBL25786362 0.80 ALDH1A1 (0.37) CYP2D6KDM4E
SCHEMBL12718204 0.79 BCHE (0.40) CYP3A4CYP1A2CYP2D6DRD2DRD3

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 5 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-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-15 US disclosed
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-09 US disclosed
US-20200157091-A1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2020-05-21 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 (4 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-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 CYP3A4 2043/4885CYP1A2 1662/4885CYP2D6 2150/4885
US-20200157091-A1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS KDM1A, KDM1B, KDM2A CYP3A4 2623/4885CYP1A2 1179/4885CYP2D6 1343/4885
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors KDM1A, KDM1B, KDM2A CYP3A4 2623/4885CYP1A2 1179/4885CYP2D6 1343/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 CYP3A4 3309/4885CYP1A2 2701/4885CYP2D6 1788/4885

“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.