SCHEMBL5205480

SCHEMBL5205480

OC1CNCCC1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.68
SLC18A3 Q16572 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK7 P50613 2/20 0.39
CDK9 P50750 2/20 0.39
CCNH P51946 2/20 0.39
MNAT1 P51948 2/20 0.39
CDK6 Q00534 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL6001914 1.00 GBA1 (0.68) GBA1SLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL6001919 1.00 GBA1 (0.68) GBA1SLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL5974321 1.00 GBA1 (0.68) GBA1SLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL5973809 1.00 GBA1 (0.68) GBA1SLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL7226927 0.86 GBA1 (0.68) GBA1SLC18A3SLC6A2SLC6A4SLC6A3
SCHEMBL19358440 0.84 GBA1 (0.80) GBA1LTB4RLTB4R2
SCHEMBL19358438 0.84 GBA1 (0.80) GBA1LTB4RLTB4R2
SCHEMBL19358439 0.84 GBA1 (0.80) GBA1LTB4RLTB4R2
SCHEMBL5974577 0.83 GBA1 (0.47) GBA1SLC6A2SLC6A4
SCHEMBL5974091 0.83 GBA1 (0.47) GBA1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565453-A4 2- (4-BENZYL)-1-PIPERIDINYL)METHYL|BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-10-10 EP disclosed
US-20060160853-A1 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists MERCK & CO., INC. 2006-07-20 US disclosed
EP-1189886-B1 ETHANESULFONYL-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
CN-1218941-C Process for preparing ethyl-sulfonylpiperidine derivatives HOFFMANN LA ROCHE (CH) 2005-09-14 CN disclosed
EP-1565453-A1 2- (4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2005-08-24 EP disclosed
EP-1136475-B1 Piperidine and piperazine compounds for use in the treatment of Alzheimer HOFFMANN LA ROCHE (CH) 2004-08-18 EP disclosed
WO-2004048364-A1 2-[(4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-6605723-B2 Reacting a protected amino acid ester with a 4-substituted butyric acid derivative, cyclizing the protected intermediate, benzylating and decarboxylating the intermediate, asymmetric hydrogenation using a catalyst HOFFMAN-LA ROCHE INC. 2003-08-12 US disclosed
EP-1189886-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP disclosed
US-20010037026-A1 Process for the preparation of ethanesul fonyl-piperidine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2001-11-01 US disclosed
US-6310213-B1 GOOD AFFITITY TO THE NMDA RECEPTOR AND THEY ARE THEREFORE USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
CN-1315319-A Process for preparing ethyl-sulfonylpiperidine derivatives HOFFMANN LA ROCHE (CH) 2001-10-03 CN disclosed
EP-1136475-A1 Piperidine and piperazine compounds for use in the treatment of Alzheimer F. HOFFMANN-LA ROCHE AG (CH) 2001-09-26 EP disclosed
WO-2000075109-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-14 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-20010037026-A1 Process for the preparation of ethanesul fonyl-piperidine derivatives GRIN1, GRIN3A, GRIN2B GBA1 2175/4885SLC18A3 180/4885SLC6A2 378/4885
US-20060160853-A1 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists GRIN2B, GRIN1, GRIN2A GBA1 2386/4885SLC18A3 1699/4885SLC6A2 2518/4885

“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.