SCHEMBL3028068

SCHEMBL3028068

CN1CCCC(N)(c2cc(F)cc(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
OPRM1 P35372 2/20 0.35
DRD4 P21917 1/20 0.35
BACE1 P56817 3/20 0.33
APP P05067 2/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SLC22A1 O15245 1/20 0.31
CHRM2 P08172 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A9 P48067 1/20 0.31
CYP1A2 P05177 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
SCHEMBL3024318 0.84 CYP2C9 (0.47) CYP2C19CYP2C9OPRM1DRD4BACE1
SCHEMBL3030734 0.83 OPRM1 (0.39) CYP2C19CYP2C9OPRM1DRD4
SCHEMBL3029549 0.80 SLC6A4 (0.48) CYP2C19CYP2C9OPRM1DRD4BACE1
SCHEMBL3023856 0.77 BACE1 (0.39) CYP2C19CYP2C9OPRM1DRD4BACE1
SCHEMBL3028513 0.76 SLC6A4 (0.46) CYP2C19CYP2C9OPRM1CYP3A4SLC6A4
SCHEMBL13234639 0.76 DRD4 (0.58) OPRM1DRD4
SCHEMBL3028217 0.76 DRD4 (0.58) OPRM1DRD4
SCHEMBL29155285 0.76
SCHEMBL18742486 0.76
SCHEMBL3024452 0.75 CYP2C9 (0.39) CYP2C19CYP2C9BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C CYP2C19 382/4885CYP2C9 567/4885OPRM1 67/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C CYP2C19 382/4885CYP2C9 567/4885OPRM1 67/4885

“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.