SCHEMBL15748302

SCHEMBL15748302

COc1ccccc1N1CCN(CCCCn2ccc3cc(Cl)ccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.58
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1B P35368 1/20 0.54
CACNA1G O43497 1/20 0.54
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR7 P34969 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL15748192 0.83 ADRA1D (0.58) HTR1ADRD2DRD3MAPTADRA1A
SCHEMBL15748101 0.79 SIGMAR1 (0.55) HTR1ADRD2DRD3SLC6A2SLC6A4
SCHEMBL27715320 0.77 KCNH2 (0.72) HTR1ADRD2DRD3ADRA1AMEN1
SCHEMBL6997344 0.77 DRD2 (0.56) HTR1ADRD2DRD3SLC6A2SLC6A4
SCHEMBL17192220 0.77 KCNH2 (0.62) DRD2DRD3KDM4EMAPT
SCHEMBL6526368 0.76 DRD2 (0.85) HTR1ADRD2DRD3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7950558 0.76 DRD2 (0.55) HTR1ADRD2DRD3SLC6A2SLC6A4
SCHEMBL8121554 0.76 HTR1A (0.77) HTR1ADRD2DRD3KDM4EMAPT
SCHEMBL1255253 0.75 DRD2 (0.78) HTR1ADRD2DRD3KDM4ESLC6A2
SCHEMBL30206503 0.75 DRD2 (0.78) HTR1ADRD2DRD3KDM4ESLC6A2

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 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
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 HTR1A 2173/4885DRD2 3778/4885DRD3 3152/4885
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 HTR1A 276/4885DRD2 445/4885DRD3 684/4885

“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.