SCHEMBL15748136

SCHEMBL15748136

O=[N+]([O-])c1ccc2c(ccn2CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.56
HTR7 P34969 7/20 0.52
SIGMAR1 Q99720 1/20 0.52
DRD2 P14416 5/20 0.50
DRD5 P21918 3/20 0.50
DRD3 P35462 3/20 0.50
HTR2A P28223 3/20 0.49
SLC6A4 P31645 1/20 0.49
HTR1A P08908 3/20 0.48
HTR6 P50406 2/20 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
SCHEMBL17192219 0.86 KCNH2 (0.56) HTR7DRD2DRD3
SCHEMBL15748105 0.84 SIGMAR1 (0.56) HTR7SIGMAR1DRD2DRD5DRD3
SCHEMBL15747983 0.83 HTR2A (0.64) HTR7SIGMAR1DRD2DRD5DRD3
SCHEMBL15748140 0.83 SIGMAR1 (0.53) HTR7SIGMAR1DRD2DRD5DRD3
SCHEMBL15748176 0.81 KMT2A (0.53) HTR7DRD2DRD5DRD3HTR1A
SCHEMBL7804944 0.79 DRD2 (0.51) HTR7SIGMAR1DRD2DRD5DRD3
Hydrochloric Acid SCHEMBL8021813 0.78 DRD2 (0.50) HTR7SIGMAR1DRD2DRD5DRD3
SCHEMBL796721 0.76 HTR7 (0.52) HTR7SIGMAR1DRD2DRD3
SCHEMBL12475241 0.76 HTR7 (0.52) HTR7SIGMAR1DRD2DRD3
SCHEMBL23902692 0.75 LMNA (0.49) SERPINE1

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 7 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-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
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
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
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 (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 SERPINE1 1602/4885HTR7 577/4885SIGMAR1 118/4885

“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.