SCHEMBL1769201

SCHEMBL1769201

O=C(O)C1(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 2/20 0.50
HTR1E P28566 1/20 0.50
S1PR3 Q99500 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AKR1C1 Q04828 1/20 0.48
CES1 P23141 2/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
CES2 O00748 1/20 0.46
SRD5A2 P31213 1/20 0.46

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
SCHEMBL3224174 0.93 NPSR1 (0.55) NPSR1MAPTHTR1ES1PR3TDP1
SCHEMBL3900070 0.93 AKR1C1 (0.59) NPSR1MAPTHTR1ES1PR3TDP1
SCHEMBL3904809 0.89 L3MBTL1 (0.64) NPSR1MAPTHTR1ES1PR3TDP1
SCHEMBL18040073 0.84 TSHR (0.52) NPSR1MAPTHTR1ES1PR3TDP1
SCHEMBL5366626 0.84 ALDH1A1 (0.52) NPSR1MAPTHTR1ES1PR3TDP1
SCHEMBL6607473 0.84 NPSR1 (0.52) NPSR1MAPTHTR1ES1PR3TDP1
SCHEMBL3909752 0.83 ALDH1A1 (0.55) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL10349986 0.83 NPSR1 (0.46) NPSR1MAPTHTR1ES1PR3TDP1
SCHEMBL10549794 0.83 NPSR1 (0.46) NPSR1MAPTHTR1ES1PR3TDP1
SCHEMBL10548355 0.82 CES1 (0.44) NPSR1MAPTHTR1ES1PR3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN claimed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-9187453-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150094296-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-02 US disclosed
EP-2832734-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 EP disclosed
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 WO disclosed
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 WO disclosed
US-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
WO-2005034837-A2 7H-IMIDAZO [1,2-α] PYRAZIN-8-ONE COMPOUNDS AS ION CHANNEL MODULATORS CARDIOME PHARMA CORPORATION (US) 2005-04-21 WO disclosed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US disclosed
EP-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 WO disclosed
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 US 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB NPSR1 2259/4885MAPT 3199/4885HTR1E 3694/4885
US-20150094296-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA NPSR1 2801/4885MAPT 277/4885HTR1E 3593/4885
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 NPSR1 175/4885MAPT 4800/4885HTR1E 261/4885
US-11077115-B2 Rorgamma modulators and uses thereof RORB, RORC, RORA NPSR1 1173/4885MAPT 4111/4885HTR1E 4409/4885

“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.