SCHEMBL7129137

SCHEMBL7129137

N#Cc1ccc(OCc2ccccc2)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
MRGPRX4 Q96LA9 6/20 0.49
PTGER1 P34995 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
APP P05067 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44

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
SCHEMBL6431004 0.88 MAOB (0.58) MAOBMRGPRX4PTGER1GAAMAPT
Hydrochloric Acid SCHEMBL7010096 0.86 MAOB (0.61) MAOBGAAMAPTMAOARAB9A
SCHEMBL1330628 0.83 MAOB (0.62) MAOBMRGPRX4
SCHEMBL6212565 0.82 MAOB (0.55) MAOBMRGPRX4PTGER1GABRG2GABRB3
SCHEMBL1060980 0.81 MAOB (0.58) MAOBMRGPRX4PTGER1ALDH1A1GABRG2
SCHEMBL1980141 0.81 MAOB (0.58) MAOBMRGPRX4PTGER1KDM4EALDH1A1
SCHEMBL214965 0.81 MAOB (0.58) MAOBMRGPRX4PTGER1KDM4EALDH1A1
SCHEMBL5241760 0.81 MAOB (0.50) MAOBMRGPRX4GAAMAPTMAOA
SCHEMBL15561368 0.81 MAOB (0.54) MAOBMRGPRX4PTGER1MAPTGABRG2
SCHEMBL10410523 0.80 APP (0.46) MAOBGAAMAPTMAOARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
EP-2892898-B1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-05-25 EP disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 US disclosed
EP-2892898-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
EP-2892894-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
WO-2014022349-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2014022343-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
WO-2002096873-A1 ISOINDOLE AND ISOQUINOLINE DERIVATIVES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-12-05 WO disclosed
CN-1367777-A Benzenamine derivatives as anti-coagulants BERLEX LAB (US) 2002-09-04 CN disclosed
EP-1200405-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2002-05-02 EP disclosed
EP-1185508-A2 INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2002-03-13 EP disclosed
EP-1181270-A2 INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2002-02-27 EP disclosed
US-6350761-B1 INHIBITORS OF THE ENZYME, FACTOR XA; BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
WO-2001009093-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-02-08 WO disclosed
WO-2000071507-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
WO-2000071508-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP 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-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 MAOB 1332/4885MRGPRX4 149/4885PTGER1 21/4885
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 MAOB 1678/4885MRGPRX4 676/4885PTGER1 11/4885

“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.