SCHEMBL6892112

SCHEMBL6892112

COC(=O)C1(C(C(C)=O)N2C=CN(C(=O)OCc3ccccc3)CC2=O)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CTSK P43235 6/20 0.35
CTSL P07711 5/20 0.35
CTSS P25774 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DDB1 Q16531 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
SCHEMBL6896025 0.84 HTR2C (0.35) HTR2CMAPK1SMN1; SMN2NPC1GAA
SCHEMBL21946048 0.71 HTR2C (0.40) HTR2CMAPK1SMN1; SMN2NPC1GAA
SCHEMBL6892101 0.69 KMT2A (0.39) SMN1; SMN2NPC1RAB9ACTSKCTSL
SCHEMBL3981472 0.69 HTR2C (0.46) HTR2CMAPK1SMN1; SMN2NPC1GAA
SCHEMBL6893907 0.69 HTR2C (0.40) HTR2CMAPK1SMN1; SMN2NPC1GAA
SCHEMBL14547790 0.66 CACNA1G (0.45) HTR2CMAPK1SMN1; SMN2NPC1GAA
SCHEMBL6896041 0.66 CTSL (0.39) HTR2CSMN1; SMN2NPC1RAB9ACTSL
SCHEMBL22893594 0.65 ALDH1A1 (0.45) HTR2CMAPK1SMN1; SMN2NPC1GAA
SCHEMBL3334735 0.64 TLR2 (0.53) SMN1; SMN2NPC1RAB9ACTSKCTSL
Hydrochloric Acid SCHEMBL20487582 0.64 DDB1 (0.44) HTR2CMAPK1CYP3A4CYP2C9TSHR

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 HTR2C 2087/4885MAPK1 758/4885SMN1; 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.