SCHEMBL8419641

SCHEMBL8419641

N#Cc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.49
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
HTR2A P28223 4/20 0.46
DRD1 P21728 2/20 0.46
DRD5 P21918 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43
ADRA1D P25100 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL13532700 0.88 SIGMAR1 (0.53) HTR1ADRD2CYP1A2
SCHEMBL8419573 0.82 HTR1A (0.53) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL8416456 0.81 HTR1A (0.52) HTR1ADRD2DRD3HTR2ADRD1
Lesopitron SCHEMBL246589 0.81 HTR1A (0.52) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL8417620 0.81 HTR1A (0.54) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL8416310 0.81 HTR1A (0.59) HTR1ADRD2DRD3HTR2ADRD1
Lesopitron SCHEMBL9201343 0.80 HTR1A (0.51) HTR1ADRD2DRD3HTR2ADRD1
Lesopitron SCHEMBL1822413 0.80 HTR1A (0.51) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL13532665 0.78 HTR1A (0.52) HTR1ADRD2DRD3HTR2ADRD1
SCHEMBL8416495 0.78 HTR1A (0.55) HTR1ADRD2DRD3HTR2ADRD1

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 8 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

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 7/4885DRD2 242/4885DRD3 432/4885

“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.