SCHEMBL7103314

SCHEMBL7103314

C#CCCCN1CCCC(O)C1Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAOB P27338 1/20 0.38
GBA1 P04062 1/20 0.35
UGCG Q16739 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
SLC6A2 P23975 2/20 0.34
HRH1 P35367 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL7108005 0.93 MAOB (0.40) GAAMAOBALDH1A1KDM2BKDM4E
SCHEMBL7104460 0.85 MAOB (0.47) GAAMAOBALDH1A1KDM4E
SCHEMBL7108850 0.79 ADRA1A (0.45) MAOBADRA1DADRA1AADRA1BHRH1
SCHEMBL7103311 0.76 MAOB (0.41) GAAMAOBALDH1A1SLC6A2HRH1
SCHEMBL7108846 0.75 SLC6A2 (0.56) MAOBALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6976458 0.73 DRD2 (0.42) HRH3
SCHEMBL7081187 0.72 DRD2 (0.42) HRH3
SCHEMBL7109773 0.71 ADRA1D (0.41) MAOBADRA1DADRA1AADRA1BKCNH2
SCHEMBL7108004 0.71 MAOB (0.42) GAAMAOBALDH1A1KCNH2KDM2B
SCHEMBL23191134 0.69 DRD2 (0.38) MAOBSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105133-A1 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists BIGGE CHRISTOPHER F (US) 2003-06-05 US claimed
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP claimed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed
US-20030105133-A1 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists BIGGE CHRISTOPHER F (US) 2003-06-05 US disclosed
US-6448270-B1 BICYCLIC HETEROARYL ACETYLENES; NEUROPROTECTIVE AGENTS; STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMINOGLYCOSIDE ANTIBIOTIC INDUCED HEARING LOSS, MIGRAINES, CHRONIC PAIN, GLAUCOMA WARNER-LAMBERT COMPANY 2002-09-10 US disclosed
US-6130234-A 4-substituted piperidine analogs and their use as subtype selective NMDA receptor antagonists WARNER-LAMBERT COMPANY (US) 2000-10-10 US disclosed
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP disclosed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 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 (1 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-20030105133-A1 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists GRIN3B, OPRM1, GRIN3A GAA 510/4885MAOB 2511/4885GBA1 887/4885

“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.