SCHEMBL3028627

SCHEMBL3028627

CO[C@H]1C[C@](N)(c2ccccc2)CN(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
MAPT P10636 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL13213966 1.00 DRD4 (0.37) DRD4OPRM1MAPTCTSDBACE1
SCHEMBL3028621 1.00 DRD4 (0.37) DRD4OPRM1MAPTCTSDBACE1
SCHEMBL3020157 0.85 OPRM1 (0.33) DRD4OPRM1
SCHEMBL7897929 0.81 OPRM1 (0.40) DRD4OPRM1CTSDBACE1BACE2
SCHEMBL3011880 0.81 OPRM1 (0.40) DRD4OPRM1CTSDBACE1BACE2
SCHEMBL3011884 0.81 OPRM1 (0.40) DRD4OPRM1CTSDBACE1BACE2
SCHEMBL3024220 0.79 DRD4 (0.39) DRD4OPRM1
SCHEMBL7897295 0.76 ALDH1A1 (0.37) MAPT
SCHEMBL3033560 0.76 ALDH1A1 (0.37) MAPT
SCHEMBL3033557 0.76 ALDH1A1 (0.37) MAPT

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 4 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
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-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C DRD4 40/4885OPRM1 67/4885MAPT 249/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C DRD4 40/4885OPRM1 67/4885MAPT 249/4885

“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.