SCHEMBL6477307

SCHEMBL6477307

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PARP15 Q460N3 2/20 0.34
PARP10 Q53GL7 2/20 0.34
GRM5 P41594 2/20 0.34
OPRK1 P41145 3/20 0.34
OPRM1 P35372 2/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
CPT2 P23786 2/20 0.34
CPT1A P50416 2/20 0.34
KCNH2 Q12809 3/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
TACR3 P29371 1/20 0.33
OPRD1 P41143 1/20 0.33
CPT1B Q92523 1/20 0.33
NAMPT P43490 1/20 0.32
FASN P49327 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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 0.85 JAK2 (0.37) CTSSCTSKOPRK1OPRM1JAK2
SCHEMBL6476534 0.84 JAK2 (0.36) CTSSCTSKOPRK1OPRM1JAK2
SCHEMBL8933090 0.82 GPR119 (0.35) CTSSCTSKOPRK1OPRM1JAK2
SCHEMBL6476401 0.82 ITGB3 (0.36) OPRK1OPRM1CPT2CPT1AKCNH2
SCHEMBL6487237 0.81 ITGB3 (0.37) PARP15PARP10OPRK1OPRM1CPT2
SCHEMBL6477218 0.79 OPRK1 (0.33) OPRK1OPRM1KCNH2OPRD1HRH3
SCHEMBL8933190 0.78 CAMKK2 (0.31)
SCHEMBL6484205 0.77 ITGB3 (0.35) OPRK1OPRM1KCNH2OPRD1
SCHEMBL6487745 0.74 ITGB3 (0.36) OPRK1OPRM1KCNH2DPP4
SCHEMBL8933284 0.74 OPRK1 (0.33) OPRK1OPRM1KCNH2

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 CTSS 839/4885CTSK 1178/4885PARP15 750/4885

“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.