SCHEMBL8419504

SCHEMBL8419504

COc1ccc(-c2cnn(CCCCN3CCN(c4ncccn4)CC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
DRD4 P21917 2/20 0.54
HRH3 Q9Y5N1 8/20 0.51
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR1A P08908 4/20 0.49
HTR7 P34969 1/20 0.49
SLC6A7 Q99884 1/20 0.49
DRD1 P21728 1/20 0.49
HTR2A P28223 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL13532684 0.89 SIGMAR1 (0.56) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL9044978 0.86 HRH3 (0.51) DRD2DRD3HRH3MAPTRAB9A
SCHEMBL8416495 0.86 HTR1A (0.55) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL8419526 0.85 MEN1 (0.52) DRD2DRD3DRD4HRH3KMT2A
SCHEMBL13532660 0.85 HTR1A (0.49) DRD2DRD3DRD4HRH3HTR1A
SCHEMBL8417620 0.78 HTR1A (0.54) DRD2DRD3DRD4HRH3HTR1A
SCHEMBL9400941 0.77 HSD17B10 (0.64) DRD2DRD3DRD4HRH3MAPT
SCHEMBL13532682 0.76 HTR1A (0.60) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL8419573 0.76 HTR1A (0.53) DRD2DRD3DRD4HRH3HTR1A
SCHEMBL9401042 0.76 HSD17B10 (0.59) DRD2DRD3DRD4HRH3MAPT

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
EP-0655248-B1 Use of 1-4-4-aryl(or heteroaryl)-1-piperazinylbutyl-1H-azole derivatives for the preparation of medicaments for the treatment of disorders of gastric secretion ESTEVE LABOR DR (ES) 1999-09-15 EP claimed
US-5532234-A Use of 1-[4-[4-aryl (or heteroaryl)-1-piperazinyl]-butyl)-1H-azole derivatives for the preparation of medicaments intended for the treatment of disorders of gastric secretion LABORATORIES DEL DR. ESTEVE, S.A. (ES) 1996-07-02 US claimed
EP-0502786-B1 Process for the preparation of aryl(or heteroaryl)-piperazin-1-butyl-azole derivatives ESTEVE LABOR DR (ES) 1996-04-24 EP claimed
EP-0655248-A1 Use of 1-4-4-aryl(or heteroaryl)-1-piperazinylbutyl-1H-azole derivatives for the preparation of medicaments for the treatment of disorders of gastric secretion LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1995-05-31 EP claimed
EP-0429360-B1 INHIBITION OF WITHDRAWAL SYNDROME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1993-10-13 EP claimed
EP-0502786-A1 Process for the preparation of aryl(or heteroaryl)-piperazin-1-butyl-azole derivatives LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-09 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
EP-0808166-A1 MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-11-26 EP disclosed
WO-1997021439-A1 MEDICAMENT INTENDED TO THE TREATMENT OF OBSESSIVE COMPULSIVE TROUBLES, SLEEP APNOEA, SEXUAL DYSFUNCTIONS, EMESA AND TRANSPORT SICKNESS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1997-06-19 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A DRD2 242/4885DRD3 432/4885DRD4 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.