SCHEMBL8001428

SCHEMBL8001428

COc1ccccc1N1CCN(C(C)CN(C(=O)C2CCCCC2)c2ccccn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.73
ADRA1A P35348 4/20 0.73
DRD4 P21917 3/20 0.73
ADRA1D P25100 3/20 0.73
ADRA1B P35368 3/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
TSHR P16473 1/20 0.73
HTR1B P28222 1/20 0.73
HTR7 P34969 1/20 0.73
HTR2B P41595 1/20 0.72
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
OPRM1 P35372 2/20 0.60

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
SCHEMBL9051902 1.00 HTR1A (0.73) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL8011497 1.00 HTR1A (0.73) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL14275261 0.86 HTR1A (0.83) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL8410968 0.86 OPRM1 (0.68) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL8544239 0.86 OPRM1 (0.68) HTR1AADRA1ADRD4ADRA1DADRA1B
Way-100,635 SCHEMBL29451114 0.85 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
Way-100,635 SCHEMBL84178 0.85 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
Way-100,635 SCHEMBL30720034 0.85 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
Way-100,635 SCHEMBL13398069 0.85 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
Way-100,635 SCHEMBL29486911 0.84 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B

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-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US claimed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP claimed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP claimed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US disclosed
EP-0763024-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033725-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO disclosed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP disclosed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR1A 7/4885ADRA1A 514/4885DRD4 301/4885

“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.