SCHEMBL5202491

SCHEMBL5202491

Fc1cccc(F)c1CC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.53
SLC6A4 P31645 9/20 0.44
SLC6A2 P23975 9/20 0.42
HTR1A P08908 8/20 0.41
SLC6A3 Q01959 8/20 0.41
CHRM1 P11229 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
Hydrochloric Acid SCHEMBL7404020 0.98 GBA1 (0.52) GBA1SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL14469029 0.89 HRH4 (0.42) GBA1SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL23119304 0.88 GBA1 (0.46) GBA1SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL23119227 0.84 SLC6A2 (0.49) GBA1SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL3964709 0.80 GBA1 (0.49) GBA1SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL21005952 0.80 SLC6A2 (0.42) SLC6A4SLC6A2HTR1ASLC6A3GRIN1
SCHEMBL3965587 0.79 GBA1 (0.56) GBA1SLC6A4SLC6A2HTR1ASLC6A3
SCHEMBL7494499 0.79 SLC6A4 (0.48) GBA1SLC6A4SLC6A2HTR1ASLC6A3
Hydrochloric Acid SCHEMBL4574857 0.78 GBA1 (0.55) GBA1SLC6A4SLC6A2HTR1ASLC6A3
Hydrochloric Acid SCHEMBL7984004 0.78 SLC6A4 (0.47) GBA1SLC6A4SLC6A2HTR1ASLC6A3

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-20220202963-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-06-30 US disclosed
WO-2021048241-A1 RADIOLABELED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-03-18 WO disclosed
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-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-1089735-B1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-06-08 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
EP-1089735-A4 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-12-18 EP disclosed
US-6284774-B1 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-09-04 US disclosed
EP-1089735-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2001-04-11 EP disclosed
WO-2000000197-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-01-06 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-20060160853-A1 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists GRIN2B, GRIN1, GRIN2A GBA1 2386/4885SLC6A4 779/4885SLC6A2 2518/4885
US-20220202963-A1 RADIOLABELED COMPOUNDS MGLL, PNLIP, LPL GBA1 63/4885SLC6A4 2415/4885SLC6A2 1911/4885

“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.