SCHEMBL6897666

SCHEMBL6897666

O=C1CN(C(=O)OCc2ccccc2)C=CN1CC1(O)CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
CYP2C9 P11712 6/20 0.41
CYP2D6 P10635 4/20 0.41
HIF1A Q16665 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
AOC3 Q16853 2/20 0.39
GRIN2B Q13224 1/20 0.38
CYP2C19 P33261 4/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL14547790 0.74 CACNA1G (0.45) SMN1; SMN2ALDH1A1MAPK1CYP2C19HTR2C
SCHEMBL6892101 0.70 KMT2A (0.39) CYP2D6SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6896015 0.69 TACR1 (0.40) SMN1; SMN2TSHRMEN1KMT2ANPSR1
SCHEMBL6078789 0.69 ITGB3 (0.45) ITGB3ITGA2BCYP2C9CYP2D6HIF1A
SCHEMBL6891077 0.69 CYP2D6 (0.40) CYP2C9CYP2D6SMN1; SMN2ALDH1A1TSHR
SCHEMBL2895538 0.69 HTT (0.43) SMN1; SMN2ALDH1A1MAPK1KDM1A
SCHEMBL3981472 0.68 HTR2C (0.46) SMN1; SMN2ALDH1A1MAPK1CYP2C19HTR1A
SCHEMBL1648396 0.68 CYP2C9 (0.51) ITGB3ITGA2BCYP2C9CYP2D6HIF1A
SCHEMBL6079188 0.68 ITGB3 (0.44) ITGB3ITGA2BCYP2C9CYP2D6HIF1A
SCHEMBL6079558 0.67 ITGB3 (0.44) ITGB3ITGA2BCYP2C9CYP2D6HIF1A

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 ITGB3 1672/4885ITGA2B 875/4885CYP2C9 67/4885

“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.