SCHEMBL3795791

SCHEMBL3795791

Fc1cc(Br)cc(OCc2ccccc2)c1F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.64
MAOB P27338 1/20 0.47
SLC6A4 P31645 1/20 0.46
PTGER1 P34995 2/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR5 P51681 1/20 0.43
NPC1 O15118 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL4419617 0.87 KDM1A (0.52) KDM1APTGER1NPC1MRGPRX4LRRK2
SCHEMBL17893533 0.86 KDM1A (0.51) KDM1AMAOBSLC6A4PTGER1
SCHEMBL17893668 0.85 KDM1A (0.50) KDM1AMAOBSLC6A4PTGER1TDP1
SCHEMBL25340510 0.84 KDM1A (0.58) KDM1AMAOBSLC6A4PTGER1MAPT
SCHEMBL2894914 0.84 KDM1A (0.61) KDM1AMAOBSLC6A4PTGER1MAPT
SCHEMBL24057016 0.81 KDM1A (0.52) KDM1AMAOBMAPTMAPK1TDP1
SCHEMBL20639142 0.81 KDM1A (0.55) KDM1AMAOBSLC6A4PTGER1MAPT
SCHEMBL25337365 0.81 KDM1A (0.49) KDM1AMAOBSLC6A4PTGER1MAPT
SCHEMBL189978 0.81 MAOB (0.47) KDM1AMAOBCCR5NPC1RAB9A
SCHEMBL30443256 0.81 KDM1A (0.52) KDM1AMAOBMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341455-A Tetrahydropyridoaromatic heterocyclic inhibitor and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2021-02-09 CN disclosed
CN-107624113-B Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection 豪夫迈·罗氏有限公司 2020-10-23 CN disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
EP-3292120-B1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
EP-3292120-B1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
EP-3292120-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS H. Hoffnabb-La Roche Ag (CH) 2018-03-14 EP disclosed
US-9845322-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-12-19 US disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed
US-9376436-B2 2-(pyridin-2yl)-1, 7-diaza-spiro [4.4] nonane-6-one compound as voltage-gated sodium channels modulators Convergence Pharmaceuticals Limited (GB) 2016-06-28 US disclosed
EP-2794612-B1 2-(PYRIDIN-2YL)-1,7-DIAZA-SPIRO[4.4]NONANE-6-ONE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2016-04-06 EP disclosed
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2015-08-13 US disclosed
EP-2794612-A1 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4]NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2014-10-29 EP disclosed
WO-2013093497-A1 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4] NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2013-06-27 WO disclosed
US-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 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 (3 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB KDM1A 4811/4885MAOB 2176/4885SLC6A4 2535/4885
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS SCN1A, SCN2A, SCN1B KDM1A 2114/4885MAOB 2204/4885SLC6A4 282/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD KDM1A 1094/4885MAOB 206/4885SLC6A4 3717/4885

“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.