SCHEMBL26360010

SCHEMBL26360010

Cc1cc(CN2CCOCC2)c(C)c(F)c1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.53
CNR2 P34972 3/20 0.49
CNR1 P21554 2/20 0.49
KMT2A Q03164 3/20 0.46
ATM Q13315 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 3/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL26359972 0.84 POLB (0.46) CYP2A13CNR2CNR1POLB
SCHEMBL23099872 0.84 CNR2 (0.47) CYP2A13CNR2CNR1KMT2AATM
SCHEMBL23239910 0.80 TP53 (0.56) CYP2A13CNR2CNR1KMT2AATM
SCHEMBL23240235 0.77 CYP2A13 (0.53) CYP2A13CNR2CNR1KMT2AATM
SCHEMBL21769976 0.75 CYP2A13 (0.50) CYP2A13CNR2CNR1KMT2AATM
SCHEMBL29739597 0.75 CYP2A13 (0.50) CYP2A13CNR2CNR1KMT2AATM
SCHEMBL17724132 0.74 CYP2A13 (0.71) CYP2A13KMT2AKDM4EHSD17B10CYP2C9
SCHEMBL23761290 0.74 CYP2A13 (0.61) CYP2A13CNR2KMT2AATMPOLB
SCHEMBL26739641 0.73 CNR2 (0.48) CYP2A13CNR2CNR1KMT2AATM
SCHEMBL23099868 0.73 POLB (0.41) CYP2A13CNR2CNR1KMT2APOLB

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-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 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-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F CYP2A13 267/4885CNR2 575/4885CNR1 499/4885

“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.