SCHEMBL1311099

SCHEMBL1311099

O=C(O)NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.82
DRD3 P35462 15/20 0.82
HTR1A P08908 3/20 0.78
DRD4 P21917 3/20 0.78
HTR2A P28223 3/20 0.78
HTR2C P28335 3/20 0.78
ADRA2A P08913 2/20 0.78
HTR7 P34969 2/20 0.78
ADRA1A P35348 2/20 0.78
HRH1 P35367 2/20 0.78
DRD1 P21728 2/20 0.78
HTR2B P41595 2/20 0.78
ABCB11 O95342 1/20 0.78
CHRM2 P08172 1/20 0.78
CHRM1 P11229 1/20 0.78
DRD5 P21918 1/20 0.78
KCNH2 Q12809 1/20 0.78
CHRM4 P08173 1/20 0.76
ADRB1 P08588 1/20 0.76
CHRM5 P08912 1/20 0.76

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
SCHEMBL31708269 1.00 DRD2 (0.82) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL31708210 1.00 DRD2 (0.82) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3464702 0.96 DRD2 (0.78) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3464703 0.96 DRD2 (0.78) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL21795356 0.92 DRD2 (0.88) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3465051 0.90 DRD2 (0.81) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL29393976 0.90 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL22960307 0.90 DRD2 (0.81) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL30855268 0.90 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1302192 0.90 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569498-B2 Process for the preparation of piperazine compounds and hydrochloride salts thereof RICHTER GEDEON NYRT. (HU) 2013-10-29 US disclosed
EP-2358691-B1 PROCESS FOR THE PREPARATION OF PIPERAZINE COMPOUNDS AND HYDROCHLORIDE SALTS THEREOF RICHTER GEDEON NYRT (HU) 2013-03-20 EP disclosed
US-20110275804-A1 PROCESS FOR THE PREPARATION OF PIPERAZINE COMPOUNDS AND HYDROCHLORIDE SALTS THEREOF RICHTER GEDEON NYRT. (HU) 2011-11-10 US disclosed
EP-2358691-A1 PROCESS FOR THE PREPARATION OF PIPERAZINE COMPOUNDS AND HYDROCHLORIDE SALTS THEREOF Richter Gedeon Nyrt. (HU) 2011-08-24 EP disclosed
WO-2011073705-A1 NOVEL PROCESS FOR THE PREPARATION OF PIPERAZINE COMPOUNDS AND HYDROCHLORIDE SALTS THEREOF RICHTER GEDEON NYRT. (HU) 2011-06-23 WO disclosed
WO-2010070370-A1 PROCESS FOR THE PREPARATION OF PIPERAZINE COMPOUNDS AND HYDROCHLORIDE SALTS THEREOF RICHTER GEDEON NYRT. (HU) 2010-06-24 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-20110275804-A1 PROCESS FOR THE PREPARATION OF PIPERAZINE COMPOUNDS AND HYDROCHLORIDE SALTS THEREOF IL1R1, C1S, CBR1 DRD2 945/4885DRD3 1067/4885HTR1A 1375/4885

“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.