SCHEMBL13486167

SCHEMBL13486167

O=Cc1cn(C2CCc3ccccc3C2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.44
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
GRIN2B Q13224 4/20 0.40
OPRL1 P41146 4/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
NOTUM Q6P988 1/20 0.36
SRD5A1 P18405 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
TSHR P16473 1/20 0.36
PLAU P00749 1/20 0.36
OPRD1 P41143 1/20 0.34
FAAH O00519 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
SCHEMBL13486172 0.90 KDM4A (0.48) CYP11B2KDM4AKDM5AKDM4CKDM5B
SCHEMBL6950354 0.78 CYP11B2 (0.44) CYP11B2KDM4AKDM5AKDM4CKDM5B
SCHEMBL14701672 0.75 CDK5 (0.40) CDK5CDK5R1
SCHEMBL15236765 0.74 CPB2 (0.40) CDK5CDK5R1
SCHEMBL3273845 0.74 CPB2 (0.40) CDK5CDK5R1
SCHEMBL14653682 0.73 CDK5 (0.34) CDK5CDK5R1
SCHEMBL3201410 0.73 KDM4A (0.42) CYP11B2KDM4AKDM5AKDM4CKDM5B
SCHEMBL14631087 0.71 CPB2 (0.51) CDK5CDK5R1
SCHEMBL14631086 0.71 CPB2 (0.51) CDK5CDK5R1
SCHEMBL14631015 0.71 CPB2 (0.42) CYP11B2KDM5ACDK5CDK5R1

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-20100041722-A1 ORGANIC COMPOUNDS HU QI-YING 2010-02-18 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-20100041722-A1 ORGANIC COMPOUNDS CYP11B1, CYP11B2, CYP21A2 CYP11B2 2/4885KDM4A 2449/4885KDM5A 1613/4885

“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.