SCHEMBL767566

SCHEMBL767566

O=C1c2ccccc2C(=O)N1C[C@@H]1CO1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 1/20 0.51
DHFR P00374 1/20 0.50
TP53 P04637 1/20 0.47
HBB P68871 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
GLS O94925 1/20 0.44
MIF P14174 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL78821 1.00 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL29567211 1.00 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL29570568 1.00 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL29402853 1.00 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL38819 1.00 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL6852463 0.88 CYP1A2 (0.55) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL14410468 0.88 CYP1A2 (0.55) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL13651922 0.87 CYP1A2 (0.66) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL17983178 0.86 CYP1A2 (0.53) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL31258922 0.85 CYP1A2 (0.84) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104961646-B Mosapride active metabolites, preparation method and uses thereof 沈阳药科大学 2017-02-22 CN claimed
EP-1377557-B1 METHODS OF SYNTHESIZING HETEROATOM-BEARING LIGANDS AND INTERMEDIATE USED THEREFOR BRACCO INT BV (NL) 2006-04-05 EP claimed
US-6919379-B2 Compounds useful in reflux disease ASTRAZENECA AB (SE) 2005-07-19 US claimed
US-20040152775-A1 Compounds useful in reflux disease ASTRAZENECA AB (SE) 2004-08-05 US claimed
EP-3135669-B1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG A ST CO LTD (KR) 2024-08-28 EP disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2022-07-14 US disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-11248001-B2 PCSK9 inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2022-02-15 US disclosed
CN-110885325-B Preparation method of (S) -glycidol phthalimide 新发药业有限公司 2021-09-07 CN disclosed
US-11028101-B2 3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies CTXT PTY LTD (AU) 2021-06-08 US disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO disclosed
US-6586474-B2 Antiinflammatory agents PHARMACIA CORPORATION 2003-07-01 US disclosed
WO-2003018556-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 WO disclosed
WO-2002100823-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO disclosed
US-20020111493-A1 Amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-08-15 US disclosed
US-6403830-B2 A S-(2-(1-IMINOETHYL)AMINO)ETHYL)-2-METHYL-L-CYSTEINE AND SALTS PHARMACIA CORPORATION 2002-06-11 US disclosed
US-20020019563-A1 Amidino compound and salts thereof useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-02-14 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 (7 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-11248001-B2 PCSK9 inhibitors and methods of use thereof PCSK9, PCSK7, PCSK6 CYP2C9 1631/4885CYP1A2 2718/4885CYP2C19 1752/4885
US-20040152775-A1 Compounds useful in reflux disease HRH2, HRH1, HRH4 CYP2C9 341/4885CYP1A2 451/4885CYP2C19 391/4885
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CYP2C9 4543/4885CYP1A2 4575/4885CYP2C19 4432/4885
US-11028101-B2 3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies HBB, HBZ, HBG2 CYP2C9 1305/4885CYP1A2 393/4885CYP2C19 1519/4885
US-20020111493-A1 Amidino compounds useful as nitric oxide synthase inhibitors NOS2, NOS1, NOS3 CYP2C9 295/4885CYP1A2 143/4885CYP2C19 164/4885
US-20020019563-A1 Amidino compound and salts thereof useful as nitric oxide synthase inhibitors NOS2, NOS1, NOS3 CYP2C9 631/4885CYP1A2 772/4885CYP2C19 700/4885
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 CYP2C9 2216/4885CYP1A2 3522/4885CYP2C19 2571/4885

“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.