SCHEMBL21726801

SCHEMBL21726801

N[C@@H]1[C@@H]2CC[C@H]1CN(c1cc(Cl)ncc1F)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA7 P36544 1/20 0.36
CHRM4 P08173 4/20 0.33
PRKCA P17252 1/20 0.32
PRKCQ Q04759 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
CHRNA4 P43681 4/20 0.31
CHRNB4 P30926 2/20 0.31
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL18952562 1.00 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA7CHRM4PRKCA
SCHEMBL18952560 1.00 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA7CHRM4PRKCA
SCHEMBL20609185 0.82 KDM4E (0.35) CHRM4PRKCAPRKCQKDM4EHTT
SCHEMBL20609187 0.82 KDM4E (0.35) CHRM4PRKCAPRKCQKDM4EHTT
SCHEMBL20609233 0.82 KDM4E (0.35) CHRM4PRKCAPRKCQKDM4EHTT
SCHEMBL18970465 0.82 KDM4E (0.35) CHRM4PRKCAPRKCQKDM4EHTT
SCHEMBL22428756 0.82 KDM4E (0.35) CHRM4PRKCAPRKCQKDM4EHTT
SCHEMBL18970476 0.81 PTPN11 (0.36) CHRM4PTPN11
SCHEMBL16635304 0.80 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL29003148 0.73 NOTUM (0.40) CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
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 CHRNB2 666/4885CHRNA3 663/4885CHRNA7 503/4885
US-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 CHRNB2 666/4885CHRNA3 663/4885CHRNA7 503/4885

“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.