SCHEMBL1966508

SCHEMBL1966508

COc1ccc(C(N)CO)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.62
PPARD Q03181 1/20 0.62
PPARA Q07869 1/20 0.62
ACHE P22303 2/20 0.53
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TNF P01375 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL9330888 1.00 PPARG (0.62) PPARGPPARDPPARAACHECYP3A4
SCHEMBL5465903 1.00 PPARG (0.62) PPARGPPARDPPARAACHECYP3A4
Hydrochloric Acid SCHEMBL11337249 0.98 PPARG (0.60) PPARGPPARDPPARAACHECYP3A4
SCHEMBL9524187 0.86 GAA (0.49) PPARGPPARDPPARAACHECYP3A4
SCHEMBL7436426 0.86 PPARG (0.54) PPARGPPARDPPARAACHECYP3A4
SCHEMBL8372401 0.86 TSHR (0.68) ACHECYP3A4TSHRNFKB1NPSR1
SCHEMBL14032377 0.85 ACHE (0.51) PPARGPPARDPPARAACHENFKB1
SCHEMBL18793774 0.84 CYP3A4 (0.45) PPARGPPARDPPARAACHECYP3A4
SCHEMBL15517309 0.84 PDE2A (0.47) PPARGPPARDPPARAACHECYP3A4
SCHEMBL15517307 0.84 PDE2A (0.47) PPARGPPARDPPARAACHECYP3A4

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
US-20240024340-A1 Compositions and Methods For Treating Migraine FISH & RICHARDSON P.C. 2024-01-25 US disclosed
EP-4251181-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS Wesana Health Inc. (US) 2023-10-04 EP disclosed
WO-2022115796-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL CONDITIONS WESANA HEALTH INC. (US) 2022-06-02 WO disclosed
US-20190106380-A1 Aromatic Derivatives As Anti-Malarial COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-04-11 US disclosed
CN-106243000-B A kind of Valinamide carbamate derivatives of base containing propynyloxy and application 南开大学 2017-12-05 CN disclosed
EP-2888240-A1 COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS Alios Biopharma, Inc. (US) 2015-07-01 EP disclosed
WO-2014031784-A1 COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS ALIOS BIOPHARMA, INC. (US) 2014-02-27 WO disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
CN-1989113-B Quinazoline derivatives NOVARTIS AG 2011-02-16 CN disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
CN-1989113-A Quinazoline derivatives NOVARTIS AG (CH) 2007-06-27 CN disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 WO disclosed
US-5281605-A Pharmaceuticals SANDOZ LTD. (CH) 1994-01-25 US disclosed
EP-0258191-B1 XANTHINE DERIVATIVES SANDOZ AG (CH) 1992-05-27 EP disclosed
WO-1988005775-A1 NOVEL XANTHINE DERIVATIVES SANDOZ-ERFINDUNGEN VERWALTUNGSGESELLSCHAFT M.B.H. (AT) 1988-08-11 WO disclosed
EP-0258191-A1 Xanthine derivatives SANDOZ AG (CH) 1988-03-02 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 (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-20190106380-A1 Aromatic Derivatives As Anti-Malarial TYR, CYP3A43, H1-3 PPARG 2605/4885PPARD 2169/4885PPARA 3255/4885
US-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 PPARG 1234/4885PPARD 765/4885PPARA 2588/4885
US-20240024340-A1 Compositions and Methods For Treating Migraine ACHE, GSK3B, HTR1B PPARG 2732/4885PPARD 2949/4885PPARA 3694/4885
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES ADRA2C, ADRB2, ADRB3 PPARG 579/4885PPARD 473/4885PPARA 520/4885

“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.