SCHEMBL21726804

SCHEMBL21726804

N[C@@H]1[C@@H]2CC[C@H]1CN(c1cc(F)ncn1)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
CYP2D6 P10635 2/20 0.34
NOTCH1 P46531 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
KCNH2 Q12809 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL18952597 1.00 DPP4 (0.36) DPP4DPP8DPP7CYP2D6NOTCH1
SCHEMBL18952596 1.00 DPP4 (0.36) DPP4DPP8DPP7CYP2D6NOTCH1
SCHEMBL21726853 0.81 CA2 (0.42) DPP4DPP8DPP7PSEN1PSEN2
SCHEMBL21726855 0.81 CA2 (0.42) DPP4DPP8DPP7PSEN1PSEN2
SCHEMBL18952546 0.81 CA2 (0.42) DPP4DPP8DPP7PSEN1PSEN2
SCHEMBL18970974 0.81 CA2 (0.42) DPP4DPP8DPP7PSEN1PSEN2
SCHEMBL20609131 0.81 PSEN1 (0.39) DPP4PSEN1PSEN2APH1BNCSTN
SCHEMBL18971472 0.81 PSEN1 (0.39) DPP4PSEN1PSEN2APH1BNCSTN
SCHEMBL20609130 0.81 PSEN1 (0.39) DPP4PSEN1PSEN2APH1BNCSTN
SCHEMBL20609175 0.81 PSEN1 (0.42) NOTCH1PSEN1PSEN2KCNH2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 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 (2 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-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 DPP4 4282/4885DPP8 3710/4885DPP7 3496/4885
US-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 DPP4 4282/4885DPP8 3710/4885DPP7 3496/4885

“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.