SCHEMBL6896041

SCHEMBL6896041

CC(C)(C)OC(=O)C(C1CCNCC1)N1C=CN(C(=O)OCc2ccccc2)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
HTR2C P28335 1/20 0.38
PARP1 P09874 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
FKBP1A P62942 1/20 0.35
PREP P48147 1/20 0.35
KLK7 P49862 1/20 0.35
HTT P42858 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP1 P29466 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6893907 0.86 HTR2C (0.40) CTSLHTR2CPARP1ITGB3ITGA2B
SCHEMBL4385892 0.79 SMN1; SMN2 (0.42) CTSLHTR2CPARP1SMN1; SMN2NPC1
SCHEMBL7657426 0.73 L3MBTL1 (0.42) PARP1KLK7GPR119L3MBTL1
SCHEMBL6896025 0.73 HTR2C (0.35) CTSLHTR2CPARP1SMN1; SMN2NPC1
SCHEMBL6896033 0.72 KDM4E (0.46) SMN1; SMN2NPC1RAB9ACYP2C19CYP2C9
SCHEMBL6580060 0.69 KCNA3 (0.47) CTSLL3MBTL1TSHR
SCHEMBL6990562 0.68 CACNA2D1 (0.40) CTSLITGB3ITGA2BFKBP1AGPR119
SCHEMBL13101483 0.68 HTR2C (0.49) CTSLHTR2CPARP1SMN1; SMN2NPC1
SCHEMBL23343000 0.67 L3MBTL1 (0.44) CYP2C19CYP3A4CYP2C9FKBP1AKLK7
SCHEMBL27504934 0.67 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19CYP3A4

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 CTSL 656/4885HTR2C 2087/4885PARP1 1601/4885

“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.