SCHEMBL7105019

SCHEMBL7105019

C#CCN1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.74
ALDH1A1 P00352 1/20 0.61
MAOA P21397 3/20 0.54
GRIN1 Q05586 2/20 0.51
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
GRIN2B Q13224 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CCR3 P51677 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL5888735 0.85 ALDH1A1 (0.58) MAOBALDH1A1GRIN1GMNNTP53
SCHEMBL19994553 0.85 MAOB (1.00) MAOBMAOA
SCHEMBL19994636 0.84 MAOB (0.74) MAOBMAOAGRIN2B
SCHEMBL18026661 0.84 MAOA (0.72) MAOBALDH1A1MAOAGRIN1GRIN2B
SCHEMBL7108846 0.82 SLC6A2 (0.56) MAOBALDH1A1CCR3SLC6A2SLC6A4
SCHEMBL19994593 0.80 MAOB (0.67) MAOBMAOAGRIN1GRIN2B
SCHEMBL18390082 0.79 ALDH1A1 (0.67) ALDH1A1GRIN1GMNNTP53CYP3A4
SCHEMBL7104459 0.77 MAOB (0.53) MAOBALDH1A1MAOAGRIN1GMNN
SCHEMBL1119467 0.75 ALDH1A1 (0.59) ALDH1A1GRIN1GMNNTP53CYP3A4
SCHEMBL7247560 0.75 ALDH1A1 (0.61) ALDH1A1GRIN1GMNNTP53CYP3A4

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 MAOB 2511/4885ALDH1A1 2000/4885MAOA 3175/4885

“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.