SCHEMBL15748168

SCHEMBL15748168

Cc1ccccc1N1CCN(CCCCn2ccc3ccccc32)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.70
▸ DRD2 P14416 3/20 0.58
▸ DRD3 P35462 3/20 0.58
▸ DRD4 P21917 1/20 0.58
▸ P2RX7 Q99572 3/20 0.57
▸ CDK4 P11802 3/20 0.56
▸ CCND1 P24385 3/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ HTR7 P34969 2/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ ADRA1B P35368 1/20 0.52
▸ ADRA1A P35348 2/20 0.50

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
SCHEMBL15748134 0.83 SIGMAR1 (0.50) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL15748086 0.80 DRD3 (0.72) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL17192215 0.79 KCNH2 (0.67) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL3990196 0.79 CDK4 (0.73) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL8418048 0.78 SIGMAR1 (0.60) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL9776119 0.78 CDK4 (0.74) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL15748138 0.77 DRD2 (0.68) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL12124558 0.77 DRD2 (0.68) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL9776034 0.76 CDK4 (0.72) SIGMAR1DRD2DRD3DRD4P2RX7
SCHEMBL3200107 0.76 ADRA1B (0.60) SIGMAR1DRD2DRD3DRD4HTR7

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 741/4885DRD2 3778/4885DRD3 3152/4885
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 SIGMAR1 118/4885DRD2 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.

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