SCHEMBL469900

SCHEMBL469900

CCCOc1ccc(C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
LTA4H P09960 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 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
SCHEMBL11365687 0.91 DRD2 (0.57) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL3763682 0.89 DRD2 (0.58) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL19736015 0.88 DRD2 (0.54) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL17637581 0.86 DRD2 (0.61) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL11375096 0.86 NR5A1 (0.56) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL11369041 0.86 NR5A1 (0.56) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL14015787 0.86 NR5A1 (0.56) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL9252588 0.86 NR5A1 (0.56) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL28832127 0.83 PPARG (0.47) KMT2AMEN1HTTPTGS1PTGS2
SCHEMBL17432926 0.83 MRGPRX4 (0.47) KMT2AMEN1PTGS1PTGS2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
WO-2017217741-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 서울대학교 산학협력단 2017-12-21 WO disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
US-8653276-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2014-02-18 US disclosed
US-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 US disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 US disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 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 (10 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB DRD2 3227/4885DRD4 3122/4885DRD3 3171/4885
US-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 DRD2 3120/4885DRD4 3426/4885DRD3 3048/4885
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 DRD2 940/4885DRD4 3679/4885DRD3 2117/4885
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 DRD2 1063/4885DRD4 3877/4885DRD3 2491/4885
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS DRD2 4877/4885DRD4 4878/4885DRD3 4841/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 DRD2 4695/4885DRD4 4835/4885DRD3 4810/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 DRD2 3120/4885DRD4 3426/4885DRD3 3048/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS DRD2 4877/4885DRD4 4878/4885DRD3 4841/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 DRD2 4852/4885DRD4 4871/4885DRD3 4860/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 DRD2 4695/4885DRD4 4835/4885DRD3 4810/4885

“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.