SCHEMBL7380797

SCHEMBL7380797

Fc1ccc(C2CCCNC2)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR6 P50406 2/20 0.42
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1E P28566 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
HTR7 P34969 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL19995543 0.89 HTR3A (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12812338 0.83 CHRNB2 (0.45) HTR2ADRD2DRD3CHRNB2CHRNA7
SCHEMBL28296881 0.81 HTR3A (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16110833 0.79 HTR2A (0.47) HTR2ADRD2DRD3HTR6HTR2C
SCHEMBL16455075 0.79 HTR3A (0.47) HTR2ACHRNB2CHRNA4HTR6HTR2C
SCHEMBL10419750 0.78 SLC6A2 (0.48) HTR6HTR2CHTR1A
Hydrochloric Acid SCHEMBL16446414 0.78 HTR3A (0.46) HTR2ACHRNB2CHRNA4HTR6HTR2C
SCHEMBL27788973 0.77 EPHX2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1824314 0.77 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL2145272 0.77 HTR6 (0.45) HTR2ADRD2DRD3CHRNB2CHRNA4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622258-B Bicyclic oxomorpholine derivatives EISAI R&D MAN CO LTD 2012-06-13 CN claimed
CN-101312965-B Morpholine type cinnamamide compound EISAI R&D MAN CO LTD 2011-07-20 CN claimed
CN-101910183-A Preparation method of 4- (substituted phenyl) hexahydropyrido [2,1-C ] [1,4] oxazin-6-one EISAI R&D MAN CO LTD 2010-12-08 CN claimed
CN-101622258-A Bicyclic oxomorpholine derivatives EISAI R&D MAN CO LTD 2010-01-06 CN claimed
CN-101472913-A Prodrugs of cinnamide compounds EISAI R&D MAN CO LTD (JP) 2009-07-01 CN claimed
CN-101312965-A Morpholine type cinnamamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN claimed
CN-101312972-A Bicyclic cinnamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN claimed
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-101312972-B Bicyclic cinnamide compound EISAI R&D MAN CO LTD 2012-06-20 CN disclosed
CN-101312972-A Bicyclic cinnamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN disclosed
CN-101312965-A Morpholine type cinnamamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN disclosed
EP-0641320-B1 SUBSTITUTED (S)-3-PHENYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR ANTAGONISTS UPJOHN CO (US) 2001-05-30 EP disclosed
US-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5462947-A Nervous system disorders THE UPJOHN COMPANY (US) 1995-10-31 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 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 353/4885DRD2 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.