SCHEMBL21726939

SCHEMBL21726939

CCCCCC(C)CC1CCC(F)(F)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PRKD3 O94806 1/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ PRKCB P05771 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ PRKCH P24723 1/20 0.30
▸ PRKCI P41743 1/20 0.30
▸ PRKCE Q02156 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30
▸ PRKCZ Q05513 1/20 0.30
▸ PRKCD Q05655 1/20 0.30
▸ PRKD1 Q15139 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
SCHEMBL21726888 0.90 MAPT (0.33) MAPTOPRM1ACE2
SCHEMBL19038153 0.79 CYP1A2 (0.48) MAPTOPRM1ACE2ALDH1A1KMT2A
SCHEMBL19407061 0.79 IDO1 (0.31) —
SCHEMBL22500128 0.78 ALDH1A1 (0.47) MAPTOPRM1ACE2ALDH1A1KMT2A
SCHEMBL11677487 0.78 ALDH1A1 (0.47) MAPTOPRM1ACE2ALDH1A1KMT2A
SCHEMBL11677049 0.78 ALDH1A1 (0.47) MAPTOPRM1ACE2ALDH1A1KMT2A
SCHEMBL23128664 0.76 OPRM1 (0.39) MAPTOPRM1ACE2ALDH1A1KMT2A
SCHEMBL21726809 0.76 APLNR (0.34) —
SCHEMBL5809132 0.75 GNAO1 (0.47) MAPTACE2PRKD3PRKCGPRKCB
SCHEMBL23332959 0.75 GNAI3 (0.40) MAPTOPRM1ACE2ALDH1A1KMT2A

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-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 (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-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 MAPT 295/4885OPRM1 177/4885ACE2 1884/4885

“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.

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