SCHEMBL6896015

SCHEMBL6896015

CC(C)(C)OC(=O)N1CCC(CN2C=CN(C(=O)OCc3ccccc3)CC2=O)(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX7 Q99572 1/20 0.38
HTT P42858 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
STS P08842 1/20 0.37
YAP1 P46937 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6891073 0.84 STS (0.40) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL6892101 0.84 KMT2A (0.39) MEN1KMT2ANPSR1HTTNPC1
SCHEMBL5741371 0.82 USP19 (0.48) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL6893895 0.78 GPR119 (0.44) PARP1HTTGPR119NPC1RAB9A
SCHEMBL30289121 0.76 SMN1; SMN2 (0.51) HTTGPR119NPC1RAB9ASMN1; SMN2
SCHEMBL4326509 0.75 LMNA (0.51) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL22014536 0.75 TACR1 (0.48) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL5742652 0.75 USP19 (0.48) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL30121349 0.75 MEN1 (0.54) TACR1OPRD1OPRK1MEN1KMT2A
SCHEMBL30289438 0.74 TACR1 (0.47) TACR1OPRD1OPRK1MEN1KMT2A

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 TACR1 2397/4885OPRD1 202/4885OPRK1 1519/4885

“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.