SCHEMBL23344677

SCHEMBL23344677

Cc1cnc(N2CCOCC2)c(CC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
OPRK1 P41145 2/20 0.39
LRRK2 Q5S007 1/20 0.39
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CA P42336 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL23344653 0.84 KDM4E (0.41) KDM4ELRRK2MEN1KMT2ASMN1; SMN2
SCHEMBL23344648 0.78 MEN1 (0.43) KDM4ELRRK2CYP2C19MEN1KMT2A
SCHEMBL14376028 0.77 ALDH1A1 (0.45) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL26341911 0.75 KDM4E (0.47) CYP11B1CYP11B2KDM4EALDH1A1OPRK1
SCHEMBL765394 0.74 LRRK2 (0.44) CYP11B1CYP11B2KDM4EOPRK1LRRK2
SCHEMBL19145279 0.74 KDM4E (0.51) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL19145547 0.74 KDM4E (0.54) KDM4EALDH1A1HSD17B10OPRK1LRRK2
SCHEMBL23344780 0.72 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14376035 0.72 PDE10A (0.52) ALDH1A1LRRK2CYP2C19MEN1KMT2A
SCHEMBL23344647 0.71 CYP1A2 (0.45) LRRK2PIK3CAMTOR

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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A CYP11B1 3430/4885CYP11B2 2712/4885KDM4E 3022/4885

“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.