SCHEMBL6894339

SCHEMBL6894339

COC1(CN2CCN(C(=O)OCc3ccccc3)CC2=O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.48
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TACR1 P25103 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PARP1 P09874 1/20 0.40
YAP1 P46937 1/20 0.40
CYP2C19 P33261 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
STS P08842 1/20 0.38

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
SCHEMBL5742652 0.88 USP19 (0.48) USP19HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5741371 0.87 USP19 (0.48) USP19HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5742099 0.83 USP19 (0.46) USP19HTTSMN1; SMN2NPC1RAB9A
SCHEMBL22032442 0.81 USP19 (0.68) USP19PARP1
SCHEMBL4385886 0.80 SMN1; SMN2 (0.50) USP19HTTSMN1; SMN2NPC1RAB9A
SCHEMBL7657420 0.80 SMN1; SMN2 (0.50) USP19HTTSMN1; SMN2NPC1RAB9A
SCHEMBL1842426 0.79 MEN1 (0.61) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6892070 0.79 GRIN2B (0.50) USP19HTTSMN1; SMN2NPC1RAB9A
SCHEMBL31397122 0.79 HTT (0.49) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4388657 0.79 MEN1 (0.45) USP19HTTSMN1; SMN2NPC1RAB9A

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 USP19 3179/4885HTT 3990/4885SMN1; 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.