SCHEMBL7109593

SCHEMBL7109593

C#CCCN1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.52
HTR7 P34969 4/20 0.48
HTR2A P28223 3/20 0.48
HTR1A P08908 3/20 0.46
HTR6 P50406 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
HTR4 Q13639 1/20 0.41

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
SCHEMBL7108255 0.92 HRH3 (0.50) HRH3HTR7HTR2AHTR1AHTR6
SCHEMBL7105977 0.85 MAOB (0.56) HRH3HTR7HTR2AHTR1AHTR6
SCHEMBL7110346 0.85 CARM1 (0.61) HRH3HTR7HTR2ALMNACARM1
SCHEMBL5394839 0.82 HRH3 (0.54) HRH3HTR7HTR2AHTR1AHTR6
SCHEMBL6962819 0.78 HRH3 (0.51) HRH3
SCHEMBL3868879 0.78 DRD2 (0.67) HTR2AHTR1AMEN1KMT2A
SCHEMBL2056241 0.77 HRH3 (0.68) HRH3HTR7HTR2AMEN1LMNA
SCHEMBL5888735 0.75 ALDH1A1 (0.58) HRH3CARM1PRMT6
SCHEMBL8302495 0.75 HRH3 (0.63) HRH3HTR7HTR2AHTR2CHTR2B
SCHEMBL6971080 0.75 DRD2 (0.48) HRH3HTR7HTR2AHTR1AHTR6

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 HRH3 319/4885HTR7 109/4885HTR2A 453/4885

“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.