SCHEMBL6476534

SCHEMBL6476534

CC(C)(C)OC(=O)CNCC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.N#Cc1ccc(C(N)=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
GPR119 Q8TDV5 2/20 0.36
DPP4 P27487 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TACR3 P29371 1/20 0.31
OPRD1 P41143 1/20 0.31
CHEK2 O96017 3/20 0.31
FASN P49327 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL6477215 0.90 JAK2 (0.37) JAK2JAK1GPR119CTSSCTSK
SCHEMBL6485866 0.87 ITGB3 (0.33) GPR119OPRM1OPRK1OPRD1
SCHEMBL6482023 0.85 FAP (0.30) OPRM1OPRK1
SCHEMBL8933090 0.85 GPR119 (0.35) JAK2JAK1GPR119CTSSCTSK
SCHEMBL7048588 0.84 NAMPT (0.39) JAK2JAK1GPR119
SCHEMBL6477307 0.84 CTSS (0.34) JAK2JAK1DPP4CTSSCTSK
SCHEMBL5901089 0.81 EPHX1 (0.33)
SCHEMBL6489531 0.79 NPFFR1 (0.35) OPRM1OPRK1OPRD1
SCHEMBL6485408 0.79 ITGB3 (0.34) OPRM1OPRK1
SCHEMBL8933213 0.78 GRIN2B (0.36) OPRM1OPRK1

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-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 JAK2 270/4885JAK1 177/4885GPR119 1604/4885

“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.