SCHEMBL6895088

SCHEMBL6895088

COC(=O)C1CCC(CN2C=CN(C(=O)OCc3ccccc3)CC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C19 P33261 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
CPB1 P15086 1/20 0.38
HTR2C P28335 1/20 0.38
GAA P10253 1/20 0.38
FKBP1A P62942 1/20 0.37
GRIN2B Q13224 1/20 0.37
TSHR P16473 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL6895093 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL6892253 0.81 DRD2 (0.50) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL6892252 0.81 DRD2 (0.50) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL14547790 0.77 CACNA1G (0.45) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL6893895 0.76 GPR119 (0.44) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL29132315 0.76 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL24405179 0.74 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3981472 0.73 HTR2C (0.46) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL24405180 0.72 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL485156 0.72 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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 SMN1; SMN2 2803/4885NPC1 4444/4885RAB9A 3693/4885

“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.