SCHEMBL4476431

SCHEMBL4476431

Nc1ccc2c(c1)C(=O)CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.50
MAOA P21397 1/20 0.50
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GRM5 P41594 5/20 0.43
LMNA P02545 2/20 0.41
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL6205990 0.89 CASP1 (0.44) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL8578811 0.85 MAOB (0.64) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL1429528 0.81 MAPT (0.47) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL69670 0.78 MAOB (0.50) MAOBMAOAMAPTGRM5NPSR1
SCHEMBL30451384 0.78 MAOB (0.50) MAOBMAOAMAPTGRM5NPSR1
SCHEMBL67612 0.78 MAOB (0.50) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL29982629 0.78 MAOB (0.54) MAOBMAOAMAPTGRM5LMNA
SCHEMBL2981516 0.78 MAOB (0.74) MAOBMAOAMAPTKDM4EGRM5
SCHEMBL16789730 0.78 MAOB (0.50) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL67609 0.78 MAOB (0.54) MAOBMAOAMAPTGRM5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084784-B2 ROR-gamma modulators and uses thereof Piramal Enterprises Limited (IN) 2021-08-10 US disclosed
US-20180215707-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2018-08-02 US disclosed
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed
EP-3122721-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2017-02-01 EP disclosed
WO-2015145371-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-10-01 WO disclosed
EP-2318416-B1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
US-8501733-B2 Spiroaminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-06 US disclosed
US-8501733-B2 Spiroaminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-06 US disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
WO-2010013794-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-04 WO disclosed
US-7534801-B2 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-05-19 US disclosed
US-7534801-B2 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-05-19 US disclosed
US-7534801-B2 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-05-19 US disclosed
US-20050107431-A1 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-05-19 US disclosed
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO disclosed
US-4992564-A Preparation of 6-substituted 4-chromanones MALLINCKRODT, INC. (US) 1991-02-12 US disclosed
US-4918203-A Preparation of 6-substituted 4-chromanones MALLINCKRODT INC. 1990-04-17 US disclosed
EP-0228172-B1 PREPARATION OF 6-SUBSTITUTED 4-CHROMANONES Mallinckrodt, Inc. (a Delaware corporation) (US) 1990-03-07 EP disclosed
EP-0228172-A1 Preparation of 6-substituted 4-chromanones Mallinckrodt, Inc. (a Delaware corporation) (US) 1987-07-08 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 (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-11084784-B2 ROR-gamma modulators and uses thereof RORB, RORA, RORC MAOB 2514/4885MAOA 2930/4885CASP1 2632/4885
US-20180215707-A1 ROR-GAMMA MODULATORS AND USES THEREOF RORB, RORA, RORC MAOB 2514/4885MAOA 2930/4885CASP1 2632/4885
US-20050107431-A1 Piperidinylchromen-6-ylsulfonamide compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 MAOB 170/4885MAOA 232/4885CASP1 3504/4885

“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.