SCHEMBL4798460

SCHEMBL4798460

CN[C@H]1CNc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 6/20 0.39
CYP2D6 P10635 5/20 0.39
KCNH2 Q12809 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 4/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4798922 1.00 EPHX2 (0.56) EPHX2MTNR1AMTNR1BSIGMAR1SLC6A2
Fumaric Acid SCHEMBL4803469 0.87 EPHX2 (0.55) EPHX2MTNR1AMTNR1BSIGMAR1MAPK1
Fumaric Acid SCHEMBL4803477 0.87 EPHX2 (0.55) EPHX2MTNR1AMTNR1BSIGMAR1MAPK1
Maleic Acid SCHEMBL4803444 0.87 EPHX2 (0.55) EPHX2MTNR1AMTNR1BSIGMAR1MAPK1
SCHEMBL11636650 0.82 EPHX2 (0.43) EPHX2MTNR1AMTNR1BSIGMAR1DRD2
SCHEMBL8562856 0.79 EPHX2 (0.65) EPHX2MTNR1AMTNR1BMAPK1MEN1
SCHEMBL8562865 0.79 EPHX2 (0.65) EPHX2MTNR1AMTNR1BMAPK1MEN1
SCHEMBL8562858 0.79 EPHX2 (0.65) EPHX2MTNR1AMTNR1BMAPK1MEN1
SCHEMBL4830429 0.78 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1
SCHEMBL8886779 0.78 SIGMAR1 (0.52) EPHX2MTNR1AMTNR1BSIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40278-E1 Heterocyclic amines having central nervous system activity PHARMACIA & UPJOHN COMPANY (US) 2008-04-29 US disclosed
US-RE40278-E1 Heterocyclic amines having central nervous system activity PHARMACIA & UPJOHN COMPANY (US) 2008-04-29 US disclosed
US-RE40278-E1 Heterocyclic amines having central nervous system activity PHARMACIA & UPJOHN COMPANY (US) 2008-04-29 US disclosed
US-7074927-B2 Heterocyclic amines having central nervous system activity PHARMACIA & UPJOHN COMPANY (US) 2006-07-11 US disclosed
EP-1017391-B1 SUSTAINED RELEASE TABLET FORMULATION TO TREAT PARKINSON DISEASE PHARMACIA & UPJOHN CO LLC (US) 2005-06-08 EP disclosed
US-20050107378-A1 Heterocyclic amines having central nervous system activity ROMERO ARTHUR G (US) 2005-05-19 US disclosed
US-RE38452-E1 SUITABLE FOR TREATING ANXIOLYTIC DISORDER, SCHIZOPHRENIA, PARKINSON'S DISEASE, ANXIETY PHARMACIA & UPJOHN COMPANY 2004-03-02 US disclosed
US-20020187981-A1 Heterocyclic amines having central nervous system activity ROMERO ARTHUR GLENN (US) 2002-12-12 US disclosed
US-20010053386-A1 (R)-5,6-dihydro-5-(methylamino)-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one maleate PHARMACIA & UPJOHN COMPANY 2001-12-20 US disclosed
US-20010009916-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY ROMERO ARTHUR G (US) 2001-07-26 US disclosed
US-6197339-B1 DIHYDRO-5-METHYLAMINO-4H-IMIDAZO(4,5-IJ)QUINOLINE-2(1H)ONE BUTENEDIOATE WITH STARCHES AND HYDROXYPROPYL CELLULOSE PHARMACIA & UPJOHN COMPANY 2001-03-06 US disclosed
EP-1017391-A2 SUSTAINED RELEASE TABLET FORMULATION TO TREAT PARKINSON DISEASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-12 EP disclosed
CN-1043574-C Heterocyclic amines having central nervous system activity UPJOHN CO (US) 1999-06-09 CN disclosed
WO-1999016442-A2 SUSTAINED RELEASE TABLET FORMULATION TO TREAT PARKINSON DISEASE PHARMACIA & UPJOHN COMPANY (US) 1999-04-08 WO disclosed
EP-0724584-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1997-11-05 EP disclosed
US-5652245-A Heterocyclic amines having central nervous system activity PHARMACIA & UPJOHN COMPANY (US) 1997-07-29 US disclosed
EP-0724584-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-08-07 EP disclosed
CN-1128030-A Heterocyclic amines having central nervous system activity UPJOHN CO (US) 1996-07-31 CN disclosed
WO-1995004056-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1995-02-09 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 (4 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-20010009916-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY CNR1, CNR2, OPRD1 EPHX2 3642/4885MTNR1A 64/4885MTNR1B 91/4885
US-20020187981-A1 Heterocyclic amines having central nervous system activity CNR1, CNR2, OPRD1 EPHX2 3640/4885MTNR1A 62/4885MTNR1B 91/4885
US-20050107378-A1 Heterocyclic amines having central nervous system activity CNR1, CNR2, NPY2R EPHX2 3891/4885MTNR1A 77/4885MTNR1B 109/4885
US-20010053386-A1 (R)-5,6-dihydro-5-(methylamino)-4H-imidazo[4,5,1-ij]quinolin-2(1H)-one maleate MT-ND4, SNCA, PARK7 EPHX2 3473/4885MTNR1A 103/4885MTNR1B 126/4885

“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.