SCHEMBL6487237

SCHEMBL6487237

N=C(N)c1ccc(C(N)=O)cn1.NCC(=O)N1CCC1(C(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
OPRK1 P41145 3/20 0.34
KCNH2 Q12809 1/20 0.34
OPRM1 P35372 2/20 0.33
F2 P00734 6/20 0.32
OPRD1 P41143 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 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
SCHEMBL6476401 0.94 ITGB3 (0.36) ITGB3ITGA2BOPRK1KCNH2OPRM1
SCHEMBL6484205 0.87 ITGB3 (0.35) ITGB3ITGA2BOPRK1KCNH2OPRM1
SCHEMBL6477039 0.85 ITGB3 (0.34) ITGB3ITGA2BOPRK1KCNH2OPRM1
SCHEMBL6487745 0.85 ITGB3 (0.36) ITGB3ITGA2BOPRK1KCNH2OPRM1
SCHEMBL8933045 0.84 ITGB3 (0.34) ITGB3ITGA2BOPRK1KCNH2OPRM1
SCHEMBL6476618 0.84 ITGB3 (0.36) ITGB3ITGA2BOPRK1KCNH2OPRM1
SCHEMBL6477218 0.84 OPRK1 (0.33) ITGB3ITGA2BOPRK1KCNH2OPRM1
Hydrochloric Acid SCHEMBL6485317 0.83 ITGB3 (0.38) ITGB3ITGA2BOPRK1KCNH2F2
SCHEMBL8933284 0.83 OPRK1 (0.33) ITGB3ITGA2BOPRK1KCNH2OPRM1
SCHEMBL6475692 0.83 ITGB3 (0.36) ITGB3ITGA2BF2F10PLG

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 ITGB3 1031/4885ITGA2B 382/4885OPRK1 4513/4885

“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.