SCHEMBL2004470

SCHEMBL2004470

N#Cc1cccnc1N1CCCNCC1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
HTR2A P28223 3/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
EPHX2 P34913 1/20 0.50
HSD11B1 P28845 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
DRD4 P21917 1/20 0.47
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL30101378 0.94 DRD2 (0.58) DRD2HTR2AKDM4EALDH1A1MAPT
SCHEMBL232897 0.94 DRD2 (0.58) DRD2HTR2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL6703246 0.93 DRD2 (0.56) DRD2HTR2AKDM4EALDH1A1MAPT
SCHEMBL3287137 0.86 KDM4E (0.61) DRD2HTR2AKDM4EALDH1A1MAPT
SCHEMBL565864 0.86 KDM4E (0.61) DRD2HTR2AKDM4EALDH1A1MAPT
SCHEMBL6822065 0.85 KDM4E (0.59) DRD2HTR2AKDM4EALDH1A1MAPT
SCHEMBL3290416 0.85 KDM4E (0.59) DRD2HTR2AKDM4EALDH1A1MAPT
SCHEMBL30748716 0.85 KDM4E (0.59) DRD2HTR2AKDM4EALDH1A1MAPT
SCHEMBL15247842 0.79 EPHX2 (0.59) HTR2AKDM4EALDH1A1RECQLEPHX2
SCHEMBL3555991 0.78 KDM4E (0.53) DRD2HTR2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 US disclosed
EP-2364303-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2011-09-14 EP disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 WO disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 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 (3 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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 DRD2 834/4885HTR2A 239/4885KDM4E 3525/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP DRD2 485/4885HTR2A 2330/4885KDM4E 4180/4885
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ADRA2C, ADRA2A, HTR2C DRD2 16/4885HTR2A 9/4885KDM4E 2010/4885

“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.