SCHEMBL8416308

SCHEMBL8416308

c1cnc(N2CCN(CCCCn3nnc4ccccc43)CC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.61
HTR2A P28223 5/20 0.60
ADRA1D P25100 3/20 0.60
ADRA1B P35368 3/20 0.60
SLC6A2 P23975 3/20 0.57
SLC9A1 P19634 5/20 0.56
SLC6A3 Q01959 1/20 0.54
HTR1A P08908 5/20 0.53
DRD2 P14416 4/20 0.53
DRD3 P35462 4/20 0.53
DRD4 P21917 3/20 0.53
HTR7 P34969 3/20 0.53
ADRA2A P08913 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1A P35348 2/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50

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
SCHEMBL15748082 0.84 P2RX7 (0.60) P2RX7HTR2AADRA1DADRA1BSLC9A1
SCHEMBL15748139 0.81 P2RX7 (0.57) P2RX7HTR2AADRA1DADRA1BSLC9A1
SCHEMBL17103031 0.79 HTR2A (0.63) P2RX7HTR2AADRA1DADRA1BSLC9A1
SCHEMBL15748177 0.79 P2RX7 (0.58) P2RX7HTR2AADRA1DADRA1BSLC9A1
SCHEMBL8418073 0.78 DRD2 (0.70) P2RX7HTR2AADRA1DADRA1BSLC6A2
SCHEMBL27965687 0.78 P2RX7 (0.62) P2RX7HTR2AADRA1DADRA1BSLC9A1
SCHEMBL8418007 0.78 HTR1A (0.54) HTR2AADRA1DADRA1BSLC6A2HTR1A
SCHEMBL17103077 0.78 P2RX7 (0.59) P2RX7HTR2AADRA1DADRA1BSLC9A1
SCHEMBL15748340 0.77 SLC6A2 (0.58) P2RX7HTR2AADRA1DADRA1BSLC6A2
SCHEMBL15748292 0.77 KCNH2 (0.64) P2RX7HTR2AADRA1DADRA1BSLC6A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US claimed
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 US claimed
EP-2924033-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP claimed
CN-103833642-A Use of benzo five-membered azaheterocyclyl piperazine derivatives LIAONING BEILEI BIOLOG PHARMACEUTICAL CO LTD 2014-06-04 CN claimed
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-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
EP-0497659-A1 Aryl(or Heteroaryl)-piperazinyl-alkyl-azole derivatives, their preparation and their application as drugs LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-08-05 EP claimed
US-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US disclosed
US-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US disclosed
US-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US disclosed
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 US disclosed
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 US disclosed
EP-2924033-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
EP-2924033-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
CN-103833642-A Use of benzo five-membered azaheterocyclyl piperazine derivatives LIAONING BEILEI BIOLOG PHARMACEUTICAL CO LTD 2014-06-04 CN 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-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 P2RX7 22/4885HTR2A 353/4885ADRA1D 82/4885

“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.