SCHEMBL24619081

SCHEMBL24619081

CCC[C@H]1CC[C@H](NC2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.37
OPRL1 P41146 14/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL178413 0.80
SCHEMBL2405510 0.78 ALDH1A1 (0.42) KDM1AMAOAMAOBIRAK4
SCHEMBL21422778 0.75 ALDH1A1 (0.44) KDM1AMAOAMAOBIRAK4
SCHEMBL28224591 0.72 CYP1A2 (0.43) POLBHPGDPKMMEN1HTT
SCHEMBL129995 0.72
SCHEMBL5691374 0.72 CYP1A2 (0.48) OPRL1MEN1HTTKMT2ACYP1A2
SCHEMBL3167257 0.72 CYP1A2 (0.58) POLBHPGDPKMMEN1HTT
SCHEMBL22570232 0.72 IRAK4 (0.36) KDM1AMAOAMAOBIRAK4
SCHEMBL1286686 0.72 IRAK4 (0.36) KDM1AMAOAMAOBIRAK4
SCHEMBL22570231 0.72 KDM1A (0.34) KDM1AMAOAMAOBIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 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 (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-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK POLB 679/4885HPGD 1412/4885PKM 987/4885

“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.