SCHEMBL6484205

SCHEMBL6484205

N=C(N)c1ccc(C(N)=O)cn1.NCC(=O)N1CCC[C@]1(C(=O)O)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
OPRK1 P41145 4/20 0.32
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.32
KCNH2 Q12809 1/20 0.32
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL6484519 0.90 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2
SCHEMBL6476401 0.89 ITGB3 (0.36) ITGB3ITGA2BOPRK1OPRM1OPRD1
SCHEMBL8933238 0.88 ITGB3 (0.31) ITGB3ITGA2BSMN1; SMN2
SCHEMBL6487237 0.87 ITGB3 (0.37) ITGB3ITGA2BOPRK1OPRM1OPRD1
SCHEMBL6477293 0.83 F2 (0.39) ITGB3ITGA2B
SCHEMBL6487745 0.82 ITGB3 (0.36) ITGB3ITGA2BOPRK1OPRM1KCNH2
Hydrochloric Acid SCHEMBL6485317 0.82 ITGB3 (0.38) ITGB3ITGA2BOPRK1KCNH2
SCHEMBL6477039 0.82 ITGB3 (0.34) ITGB3ITGA2BOPRK1OPRM1OPRD1
SCHEMBL8933130 0.81
SCHEMBL6477218 0.81 OPRK1 (0.33) ITGB3ITGA2BOPRK1OPRM1OPRD1

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 5 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
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO 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 382/4885SMN1; SMN2 3026/4885

“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.