SCHEMBL25044952

SCHEMBL25044952

C1CN(C2CCN(C34CC(C3)C4)CC2)CCO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL3 Q96JM7 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRL1 P41146 2/20 0.36
EPHX2 P34913 2/20 0.34
HRH3 Q9Y5N1 6/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL25090704 0.78 OPRL1 (0.38) SMN1; SMN2L3MBTL3L3MBTL1OPRL1HRH3
SCHEMBL24267573 0.74 OPRL1 (0.35) SMN1; SMN2L3MBTL3L3MBTL1OPRL1HRH3
SCHEMBL3168997 0.73
SCHEMBL26112778 0.73 SMN1; SMN2 (0.52) CYP2A13SMN1; SMN2L3MBTL3L3MBTL1OPRL1
SCHEMBL26112782 0.73 SMN1; SMN2 (0.52) CYP2A13SMN1; SMN2L3MBTL3L3MBTL1OPRL1
SCHEMBL1150375 0.73 KDM4E (0.48) CYP2A13SMN1; SMN2EPHX2KDM4EALDH1A1
SCHEMBL16877830 0.72
Ammonia Solution, Strong SCHEMBL4295582 0.71 SMN1; SMN2 (0.50) CYP2A13SMN1; SMN2L3MBTL3L3MBTL1OPRL1
SCHEMBL14862483 0.71 SMN1; SMN2 (0.50) CYP2A13SMN1; SMN2L3MBTL3L3MBTL1OPRL1
SCHEMBL9425142 0.69 SMN1; SMN2 (0.54) CYP2A13SMN1; SMN2L3MBTL3L3MBTL1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 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 (2 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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK CYP2A13 3226/4885SMN1; SMN2 3671/4885L3MBTL3 3441/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK CYP2A13 3226/4885SMN1; SMN2 3671/4885L3MBTL3 3441/4885

“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.