SCHEMBL2833746

SCHEMBL2833746

Cc1cc(CCN)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
TAAR1 Q96RJ0 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
KDM4E B2RXH2 4/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ADRA2A P08913 2/20 0.41
MAPT P10636 2/20 0.41
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
SLC6A2 P23975 2/20 0.41
MAPK1 P28482 2/20 0.41
DRD3 P35462 2/20 0.41
RECQL P46063 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TDP1 Q9NUW8 2/20 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
Hydrochloric Acid SCHEMBL17646479 0.98 NOS3 (0.47) NOS3NOS1TAAR1CYP1A2CYP2A6
Trifluoroacetic Acid SCHEMBL2826633 0.85 S1PR1 (0.42) NOS3NOS1
SCHEMBL28248401 0.85 NOS3 (0.47) NOS3NOS1KDM4EALDH1A1ALOX15
SCHEMBL8226653 0.85 LOXL2 (0.47) NOS3NOS1KDM4EALDH1A1TSHR
SCHEMBL24528788 0.83 NOS3 (0.46) NOS3NOS1CYP2A6KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6778616 0.83 LOXL2 (0.45) NOS3NOS1KDM4EALDH1A1TSHR
SCHEMBL8963330 0.80 ESR1 (0.48) NOS3NOS1SNCATSHR
SCHEMBL3914612 0.80 SKP2 (0.56) NOS3NOS1CYP1A2ALDH1A1MAPK1
SCHEMBL6564705 0.79 TRPV4 (0.55) TAAR1KDM4EALDH1A1ADRA2AMAPT
SCHEMBL12763837 0.79 CYP2A6 (0.48) NOS3NOS1CYP1A2CYP2A6KDM4E

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
EP-3362454-A1 EP4 ANTAGONISTS Eisai R&D Management Co., Ltd. (JP) 2018-08-22 EP disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 US disclosed
US-9663468-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 WO disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160096806-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-07 US disclosed
EP-1931659-B1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2010-09-08 EP disclosed
EP-1931659-B1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2010-09-08 EP disclosed
US-7655679-B2 Derivatives of 2-aminothiazoles and 2-amino-oxazoles, processes for their preparation and their use as pharmaceutical compositions SANOFI-AVENTIS (FR) 2010-02-02 US disclosed
US-7655679-B2 Derivatives of 2-aminothiazoles and 2-amino-oxazoles, processes for their preparation and their use as pharmaceutical compositions SANOFI-AVENTIS (FR) 2010-02-02 US disclosed
US-7655679-B2 Derivatives of 2-aminothiazoles and 2-amino-oxazoles, processes for their preparation and their use as pharmaceutical compositions SANOFI-AVENTIS (FR) 2010-02-02 US disclosed
CN-101277953-A Atives of 2-aminthiazoles and 2-aminooxazoles, processes for their preparation and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-10-01 CN disclosed
US-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
US-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
US-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
EP-1931659-A1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039176-A1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039176-A1 DERIVATIVES OF 2 -AMINTHIAZOLES AND 2-AMINOOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 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-20080227834-A1 DERIVATIVES OF 2-AMINOTHIAZOLES AND 2-AMINO-OXAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS PPARA, PPARD, PPARG NOS3 3212/4885NOS1 3458/4885TAAR1 857/4885
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 NOS3 2/4885NOS1 3/4885TAAR1 797/4885
US-20160096806-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 NOS3 2/4885NOS1 3/4885TAAR1 797/4885

“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.