SCHEMBL4808780

SCHEMBL4808780

O=C(O)Cc1ccc2c(c1)CCC2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.68
HSD17B10 Q99714 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B1 P14061 3/20 0.47
KDM4E B2RXH2 1/20 0.46
RGS12 O14924 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
GNAI1 P63096 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 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
SCHEMBL23162895 0.92 AKR1B1 (0.61) AKR1B1HSD17B1
SCHEMBL6794989 0.90 AKR1B1 (0.60) AKR1B1HSD17B1
SCHEMBL1347195 0.86 AKR1B1 (0.58) AKR1B1HSD17B10KDM4ERGS12LMNA
SCHEMBL28770218 0.85 CASP1 (0.51) AKR1B1HSD17B10CASP1CASP7HSD17B1
SCHEMBL1807897 0.85 AKR1B1 (0.50) AKR1B1HSD17B10CASP1CASP7HSD17B1
SCHEMBL1807895 0.85 AKR1B1 (0.50) AKR1B1HSD17B10CASP1CASP7HSD17B1
SCHEMBL6227273 0.83 AKR1B1 (0.49) AKR1B1HSD17B10CASP1CASP7HSD17B1
SCHEMBL14710258 0.81 AKR1B1 (0.61) AKR1B1HSD17B10KDM4ERGS12LMNA
SCHEMBL7844764 0.81 AKR1B1 (0.50) AKR1B1HSD17B10CASP1CASP7HSD17B1
SCHEMBL14678411 0.81 ALDH1A1 (0.48) AKR1B1HSD17B10CASP1CASP7HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 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) 2023-08-16 EP disclosed
EP-3573960-B1 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) 2023-08-16 EP 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
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO disclosed
EP-0820455-B1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES AVENTIS PHARMA SA (FR) 2001-10-31 EP disclosed
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed
EP-0820455-A1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES Aventis Pharma S.A. (FR) 1998-01-28 EP disclosed
WO-1996031511-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-10-10 WO disclosed
US-4994450-A Side effect reduction DR. LO. ZAMBELETTI S.P.A. (IT) 1991-02-19 US disclosed
EP-0333315-A1 Azacyclic compounds, processes for their preparation and their pharmaceutical use Dr. Lo. Zambeletti S.p.A. (IT) 1989-09-20 EP disclosed
US-3929872-A Indanacetic acid compounds MERCK & CO INC 1975-12-30 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 (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-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 AKR1B1 641/4885HSD17B10 2237/4885CASP1 1237/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 AKR1B1 3091/4885HSD17B10 3557/4885CASP1 2298/4885
US-20140315881-A1 COMPOUNDS AND METHODS RORC, RORB, RORA AKR1B1 558/4885HSD17B10 283/4885CASP1 1361/4885

“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.