SCHEMBL7108408

SCHEMBL7108408

OC1(c2ccc(Cl)cc2)CCN(CCC#Cc2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 1.00
DRD3 P35462 6/20 0.63
HTR1A P08908 4/20 0.63
DRD1 P21728 4/20 0.63
DRD5 P21918 4/20 0.63
SLC6A2 P23975 4/20 0.63
HTR2A P28223 4/20 0.63
SLC6A4 P31645 4/20 0.63
HTR7 P34969 4/20 0.63
HRH1 P35367 4/20 0.63
HTR2B P41595 4/20 0.63
SIGMAR1 Q99720 4/20 0.58
SLC6A3 Q01959 2/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.57
CACNA1F O60840 1/20 0.57
KCNK2 O95069 1/20 0.57
ABCB11 O95342 1/20 0.57
CYP1A2 P05177 1/20 0.57
ADRB2 P07550 1/20 0.57

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
SCHEMBL6969549 0.88 DRD2 (0.79) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL5888835 0.80 DRD2 (0.66) DRD2DRD3OPRM1
SCHEMBL7110312 0.78 DRD2 (0.64) DRD2SIGMAR1
SCHEMBL14307260 0.77 CCR3 (0.69) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL11844101 0.77 DRD2 (1.00) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL7236512 0.77 CCR1 (0.62) DRD2ADRA1AOPRM1
SCHEMBL5888817 0.77 DRD2 (0.62) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL4060617 0.76 DRD2 (1.00) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL11301741 0.75 DRD2 (0.70) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL9051774 0.75 DRD2 (1.00) DRD2DRD3HTR1ADRD1DRD5

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 DRD2 338/4885DRD3 440/4885HTR1A 378/4885

“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.