SCHEMBL9865585

SCHEMBL9865585

COC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
ADORA3 P0DMS8 3/20 0.58
MAPT P10636 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CACNA1C Q13936 3/20 0.58
TSHR P16473 2/20 0.58
NFKB1 P19838 2/20 0.58
MEN1 O00255 1/20 0.58
CYP2D6 P10635 1/20 0.58
KMT2A Q03164 1/20 0.58
CACNA1F O60840 1/20 0.57
CACNA1D Q01668 1/20 0.57
CACNA1S Q13698 1/20 0.57
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL11003495 0.90 KDM4E (0.69) CACNA1CCACNA1FCACNA1DCACNA1SKDM4E
SCHEMBL11007562 0.89 KDM4E (0.57) CYP1A2CYP3A4ADORA3MAPTCYP2C9
SCHEMBL11008392 0.89 KDM4E (0.52) CYP1A2CYP3A4ADORA3MAPTCYP2C9
SCHEMBL24117078 0.88 CACNA1C (0.48) CYP1A2CYP3A4ADORA3MAPTCYP2C9
SCHEMBL30266638 0.88 CACNA1C (0.48) CYP1A2CYP3A4ADORA3MAPTCYP2C9
SCHEMBL9637819 0.87 KDM4E (0.58) CYP1A2CYP3A4ADORA3MAPTCYP2C9
SCHEMBL11002812 0.86 KDM4E (0.59) CACNA1CTSHRCACNA1FCACNA1DCACNA1S
SCHEMBL10830322 0.86 KDM4E (0.59) CYP1A2CYP3A4ADORA3MAPTCYP2C9
SCHEMBL11003525 0.86 ALDH1A1 (0.56) MAPTCACNA1CMEN1KMT2ACACNA1F
SCHEMBL11008926 0.86 KDM4E (0.58) CACNA1CCACNA1FCACNA1DCACNA1SKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021255608-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4- B]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS NOVARTIS AG (CH) 2021-12-23 WO disclosed
WO-2021255607-A1 METHYL 2-(FLUOROMETHYL)-5-OXO-4-PHENYL-4,5,6,7-TETRAHYDRO-1H-CYCLOPENTA[B]PYRIDINE-3-CARBOXYLATES AND METHYL 2-(FLUOROMETHYL)-5-OXO-4-PHENYL-1,4,5,7-TETRAHYDROFURO[3,4-B]PYRIDINE-3-CARBOXYLATES AS CAV1.2 ACTIVATORS NOVARTIS AG (CH) 2021-12-23 WO disclosed
US-20210395261-A1 METHYL (R)-2-(FLUOROMETHYL)-5-OXO-4-PHENYL-4,5,6,7-TETRAHYDRO-1H-CYCLOPENTA[B]PYRIDINE-3-CARBOXYLATE AND METHYL (R)-2-(FLUOROMETHYL)-5-OXO-4-PHENYL-1,4,5,7-TETRAHYDROFURO[3,4-B]PYRIDINE-3-CARBOXYLATE AS CAV1.2 ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-12-23 US disclosed
US-20210387995-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4-b]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-12-16 US disclosed
US-5026714-A Novel 1-alkyl-substituted 1,4-dihydropyridinelactone anti-diabetics BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
US-4567268-A Process for preparation of certain tetrahydrofuro[3,4-b]pyridines MERCK & CO., INC. (US) 1986-01-28 US disclosed
US-4532248-A Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 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 (2 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-20210395261-A1 METHYL (R)-2-(FLUOROMETHYL)-5-OXO-4-PHENYL-4,5,6,7-TETRAHYDRO-1H-CYCLOPENTA[B]PYRIDINE-3-CARBOXYLATE AND METHYL (R)-2-(FLUOROMETHYL)-5-OXO-4-PHENYL-1,4,5,7-TETRAHYDROFURO[3,4-B]PYRIDINE-3-CARBOXYLATE AS CAV1.2 ACTIVATORS CACNA1D, CACNA1B, CACNA1S CYP1A2 1056/4885CYP3A4 1334/4885ADORA3 2163/4885
US-20210387995-A1 METHYL 2-METHYL-5-OXO-1,4,5,7-TETRADHYDROFURO[3,4-b]PYRIDINE-3-CARBOXYLATE COMPOUNDS AS CAV1.2 ACTIVATORS CACNA1D, CACNA1I, CACNA1S CYP1A2 730/4885CYP3A4 886/4885ADORA3 1920/4885

“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.