SCHEMBL4385886

SCHEMBL4385886

CC(C)(C)OC(=O)N1CCC(CN2CCN(C(=O)OCc3ccccc3)CC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
GRIN2B Q13224 5/20 0.47
YAP1 P46937 2/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
STS P08842 1/20 0.46
USP19 O94966 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
CYP3A4 P08684 1/20 0.44
FPR2 P25090 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
SCHEMBL7657420 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL25426557 0.95 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL6892070 0.91 GRIN2B (0.50) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL20339027 0.91 PARP1 (0.46) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL4400064 0.90 FAAH (0.49) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL29132096 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL29132098 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL29132404 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL25295183 0.87 YAP1 (0.46) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL30288951 0.86 DRD2 (0.52) SMN1; SMN2NPC1RAB9AHTTUSP19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234939-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 2023-07-27 US disclosed
EP-4204090-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2023-07-05 EP disclosed
CN-115989225-A Imidazole-pyrazole derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
WO-2022043486-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 WO disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 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 (3 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 SMN1; SMN2 4142/4885NPC1 2223/4885RAB9A 1986/4885
US-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 SMN1; SMN2 2803/4885NPC1 4444/4885RAB9A 3693/4885
US-20230234939-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES AS ANTIBACTERIALS CYP3A7, NISCH, ARG1 SMN1; SMN2 4195/4885NPC1 1365/4885RAB9A 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.