SCHEMBL3025606

SCHEMBL3025606

CC(C)(C)N1CCCC(N)(c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.56
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
GRIN1 Q05586 1/20 0.56
KCNH2 Q12809 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
ALDH1A1 P00352 1/20 0.49
DRD4 P21917 1/20 0.41

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
SCHEMBL7898826 0.89 OPRM1 (0.46) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL3018956 0.84 GRIN2D (0.42) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL16418421 0.80 OPRM1 (0.73) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL23773726 0.79 OPRM1 (0.53) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL3028217 0.78 DRD4 (0.58) OPRM1DRD4
SCHEMBL13234639 0.78 DRD4 (0.58) OPRM1DRD4
SCHEMBL12363963 0.77 OPRM1 (0.51) OPRM1GRIN2DGRIN3BCHRM2CHRM1
Hydrochloric Acid SCHEMBL10752401 0.76 OPRM1 (0.50) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL16937069 0.74 OPRM1 (0.44) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL22959674 0.74 OPRM1 (0.47) OPRM1GRIN2DGRIN3BCHRM2CHRM1

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 11 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
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 OPRM1 67/4885GRIN2D 7/4885GRIN3B 70/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C OPRM1 67/4885GRIN2D 7/4885GRIN3B 70/4885

“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.