SCHEMBL21886900

SCHEMBL21886900

Nc1nc2n(n1)CCCC2c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.48
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHFR P00374 1/20 0.36

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
SCHEMBL2256419 0.85 PSEN1 (0.52) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL9226894 0.80 NPBWR1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19658952 0.79 RIPK1 (0.56) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL2271918 0.79 PSEN1 (0.47) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL20221921 0.78 RIPK1 (0.45) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL18366976 0.78 RIPK1 (0.58) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL21374341 0.78 RIPK1 (0.47) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL9282768 0.77 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19659284 0.76 RIPK1 (0.56) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL2275154 0.74 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 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-10604517-B2 Bridged piperidine derivatives HPGDS, APP, PSEN1 RIPK1 3697/4885PSEN1 3/4885PSEN2 11/4885

“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.