SCHEMBL15748101

SCHEMBL15748101

Fc1ccc(N2CCN(CCCCn3ccc4cc(Cl)ccc43)CC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
P2RX7 Q99572 3/20 0.53
ADRA1B P35368 3/20 0.49
DRD4 P21917 1/20 0.44
GRM2 Q14416 1/20 0.44
PARP1 P09874 1/20 0.44
KCNH2 Q12809 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
HTR1A P08908 4/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A4 P31645 2/20 0.43
CYP3A4 P08684 1/20 0.42
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL12124699 0.83 MAPT (0.54) SIGMAR1P2RX7ADRA1BSLC6A2SLC6A3
SCHEMBL15748141 0.81 SIGMAR1 (0.53) SIGMAR1P2RX7ADRA1BKCNH2HTR1A
SCHEMBL15748302 0.79 HTR1A (0.58) ADRA1BHTR1AHTR7SLC6A2SLC6A4
SCHEMBL23956140 0.75 HTR7 (0.62) HTR7HTR6HTR2A
SCHEMBL9536060 0.74 ADRA1B (0.60) ADRA1BPARP1KCNH2PARP2HTR1A
SCHEMBL4910280 0.74 ADRA1B (0.63) SIGMAR1ADRA1BPARP1KCNH2PARP2
SCHEMBL17192220 0.74 KCNH2 (0.62) DRD4KCNH2DRD3DRD2
SCHEMBL15748105 0.74 SIGMAR1 (0.56) SIGMAR1KCNH2HTR1AHTR7SLC6A4
Hydrochloric Acid SCHEMBL10573066 0.73 ADRA1B (0.62) ADRA1BPARP1KCNH2PARP2HTR1A
SCHEMBL8151383 0.73 ADRA1B (0.62) ADRA1BHTR1AHTR7HTR6SLC6A2

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 13 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-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
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
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
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US 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-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 SIGMAR1 741/4885P2RX7 116/4885ADRA1B 278/4885
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 SIGMAR1 118/4885P2RX7 22/4885ADRA1B 72/4885

“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.