SCHEMBL15748232

SCHEMBL15748232

Cc1nc2ccccc2n1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
DRD2 P14416 6/20 0.59
DRD3 P35462 6/20 0.59
ADRA1A P35348 5/20 0.59
DRD5 P21918 2/20 0.56
HTR7 P34969 5/20 0.55
HTR1A P08908 4/20 0.55
P2RX7 Q99572 1/20 0.54
SLC6A4 P31645 2/20 0.53
HTR2A P28223 2/20 0.53
ABCB11 O95342 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
OPRM1 P35372 1/20 0.52
KCNH2 Q12809 1/20 0.52
PHGDH O43175 1/20 0.52
ADRA1D P25100 1/20 0.52

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
SCHEMBL15748175 0.87 SIGMAR1 (0.58) SIGMAR1DRD2DRD3ADRA1ADRD5
SCHEMBL17192201 0.86 KCNH2 (0.64) DRD2DRD3HTR7HTR1AP2RX7
SCHEMBL15748179 0.84 HTR7 (0.55) DRD2DRD3HTR7HTR1AP2RX7
SCHEMBL8416352 0.82 SIGMAR1 (0.57) SIGMAR1DRD2DRD3ADRA1AHTR7
SCHEMBL7081243 0.82 HTR7 (0.67) DRD2DRD3HTR7HTR1AP2RX7
SCHEMBL17471515 0.81 DRD3 (0.56) SIGMAR1DRD2DRD3ADRA1ADRD5
SCHEMBL15748151 0.79 SIGMAR1 (0.61) SIGMAR1DRD2DRD3ADRA1ADRD5
SCHEMBL15748095 0.79 DRD2 (0.75) SIGMAR1DRD2DRD3ADRA1ADRD5
SCHEMBL8125860 0.79 HTR7 (0.62) SIGMAR1DRD2DRD3ADRA1ADRD5
SCHEMBL11925196 0.79 DRD3 (0.54) SIGMAR1DRD2DRD3ADRA1ADRD5

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 19 patents. 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-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF LIAONING EMMY BIOLOGICAL PHARMACEUTICAL CO., LTD (CN) 2016-01-14 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
EP-2924032-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP claimed
US-9802929-B2 Benzo five-membered nitrogen heterocyclic piperidine or piperazine derivatives and preparation methods and pharmaceutical compositions thereof SHENYANG HAIWANG BIOTECHNOLOGY CO., LTD. (CN) 2017-10-31 US disclosed
US-9802929-B2 Benzo five-membered nitrogen heterocyclic piperidine or piperazine derivatives and preparation methods and pharmaceutical compositions thereof SHENYANG HAIWANG BIOTECHNOLOGY CO., LTD. (CN) 2017-10-31 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-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF LIAONING EMMY BIOLOGICAL PHARMACEUTICAL CO., LTD (CN) 2016-01-14 US disclosed
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF LIAONING EMMY BIOLOGICAL PHARMACEUTICAL CO., LTD (CN) 2016-01-14 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-2924032-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF 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
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-2924032-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
WO-2014079154-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF 辽宁贝雷生物制药有限公司 (CN) 2014-05-30 WO disclosed
WO-2014079155-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES 辽宁贝雷生物制药有限公司 (CN) 2014-05-30 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 (2 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 SIGMAR1 118/4885DRD2 445/4885DRD3 684/4885
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP3A5, IL5, ABCC5 SIGMAR1 225/4885DRD2 725/4885DRD3 932/4885

“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.