SCHEMBL17103013

SCHEMBL17103013

Clc1ccc(C2CCCNC2)c(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTR2A P28223 4/20 0.50
HTR2C P28335 1/20 0.50
HTR3A P46098 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 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
SCHEMBL16455135 0.78 HTR2A (0.52) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3697519 0.77 HTR2A (0.51) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1822134 0.77 HTR3A (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL16446293 0.77 HTR2A (0.51) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL2884606 0.76 HTR2A (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16110833 0.76 HTR2A (0.47) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16455235 0.76 HTR2A (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7347495 0.75 KCNH2 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL23216456 0.75 HTR2A (0.52) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL16445803 0.74 HTR2A (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108721289-A The purposes of benzo five-membered Azacyclyl piperidine derivative 沈阳海王生物技术有限公司 2018-11-02 CN 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
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
CN-103830238-A Use of benzo five-membered azaheterocyclyl piperidine derivatives SHENYANG BEIEN PHARMACEUTICAL CO LTD 2014-06-04 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 CYP2D6 173/4885SLC6A2 1177/4885SLC6A4 1289/4885

“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.