SCHEMBL15748178

SCHEMBL15748178

c1ccc2c(c1)nnn2CCCCN1CCN(c2n[nH]c3ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.70
ADRA1D P25100 2/20 0.70
ADRA1B P35368 2/20 0.70
P2RX7 Q99572 1/20 0.56
PARP1 P09874 2/20 0.53
SLC9A1 P19634 6/20 0.49
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
TNKS O95271 1/20 0.43
PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL15748237 0.82 HTR2A (1.00) HTR2AADRA1DADRA1BP2RX7HTR1A
Hydrochloric Acid SCHEMBL25342544 0.81 HTR2A (1.00) HTR2AADRA1DADRA1BP2RX7HTR1A
Hydrochloric Acid SCHEMBL29432933 0.81 HTR2A (1.00) HTR2AADRA1DADRA1BP2RX7HTR1A
SCHEMBL15748197 0.81 DRD2 (0.61) HTR2AADRA1DADRA1BP2RX7PARP1
SCHEMBL15748104 0.80 HTR2A (0.64) HTR2AADRA1DADRA1BP2RX7HTR1A
SCHEMBL17103031 0.79 HTR2A (0.63) HTR2AADRA1DADRA1BP2RX7SLC9A1
SCHEMBL8416308 0.77 P2RX7 (0.61) HTR2AADRA1DADRA1BP2RX7SLC9A1
SCHEMBL15748082 0.76 P2RX7 (0.60) HTR2AADRA1DADRA1BP2RX7SLC9A1
SCHEMBL15748164 0.75 HTR2A (0.78) HTR2AADRA1DADRA1BP2RX7HTR1A
SCHEMBL1545365 0.75 PARP1 (0.54) HTR2APARP1HTR1ADRD2HTR7

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 6 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

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 HTR2A 353/4885ADRA1D 82/4885ADRA1B 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.