SCHEMBL15748155

SCHEMBL15748155

O=Cc1ccc2c(ccn2CCCCN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ HTR7 P34969 3/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ GCGR P47871 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.37
▸ PLA2G4A P47712 1/20 0.37

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
SCHEMBL17192217 0.84 DRD2 (0.48) DRD4DRD2DRD3SLC6A2SLC6A4
SCHEMBL15748133 0.82 DRD2 (0.51) DRD4DRD2DRD3SLC6A2SLC6A4
SCHEMBL15748140 0.81 SIGMAR1 (0.53) DRD2DRD3SLC6A4HTR7SIGMAR1
SCHEMBL17192218 0.77 KCNH2 (0.58) DRD4DRD2DRD3HTR7
SCHEMBL15748134 0.74 SIGMAR1 (0.50) DRD4DRD2DRD3HTR7CYP2A6
SCHEMBL23956106 0.74 HTR7 (0.49) HTR7P2RX7TRPV1
SCHEMBL23927833 0.72 ABL1 (0.49) HTR7
SCHEMBL2094768 0.72 SLC6A2 (0.48) DRD4DRD2DRD3SLC6A2SLC6A4
SCHEMBL2091301 0.71 KCNH2 (0.49) DRD4DRD2DRD3SLC6A2SLC6A4
SCHEMBL2849035 0.71 HTR7 (0.41) DRD2DRD3SLC6A2SLC6A4HTR7

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 4 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-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 DRD4 569/4885DRD2 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.

Send feedback