SCHEMBL82426

SCHEMBL82426

CCOC(=O)c1ccc(C)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
GABRA1 P14867 7/20 0.50
GABRG2 P18507 7/20 0.50
GABRB3 P28472 7/20 0.50
GABRA5 P31644 7/20 0.50
GABRA3 P34903 7/20 0.50
GABRA2 P47869 7/20 0.50
GABRA4 P48169 7/20 0.50
GABRA6 Q16445 7/20 0.50
GABRP O00591 6/20 0.50
GABRD O14764 6/20 0.50
GABRB1 P18505 6/20 0.50
GABRB2 P47870 6/20 0.50
GABRE P78334 6/20 0.50
GABRG1 Q8N1C3 6/20 0.50
GABRG3 Q99928 6/20 0.50
GABRQ Q9UN88 6/20 0.50
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48

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
SCHEMBL31172628 1.00 CYP1A2 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL20267528 0.88 ALDH1A1 (0.49) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21241043 0.86 POLB (0.44) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL229176 0.84 CA12 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL10003611 0.84 CYP1A2 (0.53) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1971939 0.84 MAPK1 (0.61) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL29637478 0.84 MAPK1 (0.61) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL29031128 0.82 SMN1; SMN2 (0.47) CYP1A2KDM4EALDH1A1MAPTNPC1
SCHEMBL1808295 0.82 ALDH1A1 (0.55) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL347328 0.82 CYP1A2 (0.51) CYP1A2GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208603-B2 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2007-04-24 US claimed
EP-1358179-B1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PF MEDICAMENT (FR) 2006-05-10 EP claimed
US-20040116705-A1 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2004-06-17 US claimed
EP-1358179-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2003-11-05 EP claimed
WO-2002064585-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2002-08-22 WO claimed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2020-09-17 US disclosed
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds AUSPEX PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
WO-2018057576-A1 DEUTERIUM-SUBSTITUTED PYRIDIN- AND PYRIMIDIN-2-YL-METHYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2018-03-29 WO disclosed
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2018-03-22 US disclosed
US-5717094-A 6-THIOCHROMANYL-ETHYNE, 6-CHROMANYL ETHYNE AND 6-TETRAHYDROQUINOLINYL ETHYNE OR THEIR METAL SALTS ARE REACTED WITH SUITABLE HALO SUBSTITUTED PHENYL OR HETEROARYL COMPUNDS ALLERGAN (US) 1998-02-10 US disclosed
EP-0719779-A1 SUBSTITUTED THIAZOLO [3,2-ALPHA]AZEPINE DERIVATIVE Eisai Co., Ltd. (JP) 1996-07-03 EP disclosed
EP-0419132-B1 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN INC (US) 1995-09-06 EP disclosed
US-5248777-A Inhibitors of ornithine decarboxylase ALLERGAN, INC. (US) 1993-09-28 US disclosed
US-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
US-4923993-A Process for the preparation of 2-pyridinecarboxylic acid derivatives and 1-amino-1,4-dihydropyridine-2-carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-08 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 (5 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-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A CYP1A2 329/4885GABRA1 451/4885GABRG2 790/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 CYP1A2 95/4885GABRA1 3024/4885GABRG2 3682/4885
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A CYP1A2 329/4885GABRA1 451/4885GABRG2 790/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 CYP1A2 935/4885GABRA1 2720/4885GABRG2 2096/4885
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds HTR2C, HTR5A, HTR1A CYP1A2 329/4885GABRA1 451/4885GABRG2 790/4885

“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.