SCHEMBL6896033

SCHEMBL6896033

CC(C)(C)OC(=O)N1CCC(CN2C=CN(C(=O)OCc3ccccc3)CCC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
YAP1 P46937 3/20 0.45
HTT P42858 1/20 0.45
STS P08842 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN2B Q13224 3/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL6893895 0.86 GPR119 (0.44) KDM4EPKMSMN1; SMN2CYP2C19NPC1
SCHEMBL18921646 0.79 SMN1; SMN2 (0.56) KDM4EPKMSMN1; SMN2CYP2C19NPC1
SCHEMBL2386800 0.79 SMN1; SMN2 (0.56) KDM4EPKMSMN1; SMN2CYP2C19NPC1
SCHEMBL4385886 0.78 SMN1; SMN2 (0.50) KDM4EPKMSMN1; SMN2CYP2C19NPC1
SCHEMBL7657420 0.78 SMN1; SMN2 (0.50) KDM4EPKMSMN1; SMN2CYP2C19NPC1
SCHEMBL14334908 0.78 SMN1; SMN2 (0.52) KDM4EPKMSMN1; SMN2CYP2C19NPC1
SCHEMBL29132134 0.77 SMN1; SMN2 (0.58) KDM4EPKMSMN1; SMN2CYP2C19NPC1
SCHEMBL6892253 0.76 DRD2 (0.50) L3MBTL1
SCHEMBL6892252 0.76 DRD2 (0.50) L3MBTL1
SCHEMBL13954406 0.76 GPR119 (0.67) KDM4EPKMSMN1; SMN2CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 KDM4E 1392/4885PKM 2642/4885SMN1; SMN2 2803/4885

“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.