SCHEMBL3028513

SCHEMBL3028513

CN1CCCC(N)(c2ccc(F)c(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.46
SLC6A3 Q01959 11/20 0.46
SLC6A2 P23975 10/20 0.43
SLC6A9 P48067 1/20 0.37
CYP2D6 P10635 4/20 0.36
KCNH2 Q12809 4/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
OPRM1 P35372 1/20 0.35

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
SCHEMBL3029549 0.87 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CYP2C19CYP2C9
SCHEMBL3023856 0.84 BACE1 (0.39) SLC6A4SLC6A3SLC6A2SLC6A9CYP2C19
SCHEMBL3012560 0.82 OPRM1 (0.43) SLC6A4SLC6A3SLC6A9OPRM1
SCHEMBL18769437 0.80 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2
SCHEMBL3028603 0.80 SLC6A3 (0.43) SLC6A4SLC6A3SLC6A2SLC6A9CYP2D6
SCHEMBL3030734 0.79 OPRM1 (0.39) SLC6A3CYP2C19CYP2C9OPRM1
SCHEMBL3026445 0.79 SLC6A9 (0.37) SLC6A4SLC6A3SLC6A2SLC6A9CYP2C19
Hydrochloric Acid SCHEMBL18742787 0.79 SLC6A3 (0.55) SLC6A4SLC6A3SLC6A2
SCHEMBL3024318 0.77 CYP2C9 (0.47) SLC6A4SLC6A3SLC6A2CYP2D6CYP2C19
SCHEMBL13229764 0.77 SLC6A3 (0.56) SLC6A4SLC6A3SLC6A2

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 SLC6A4 126/4885SLC6A3 162/4885SLC6A2 228/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C SLC6A4 126/4885SLC6A3 162/4885SLC6A2 228/4885

“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.