SCHEMBL6476434

SCHEMBL6476434

COc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)O)cc(OC)c1OC.N=C(N)c1ccc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42
DPP4 P27487 4/20 0.41
ACE P12821 2/20 0.40
F2 P00734 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
FAP Q12884 1/20 0.39
DGAT1 O75907 2/20 0.38
FKBP1A P62942 4/20 0.36
FKBP5 Q13451 3/20 0.36
ALDH1A1 P00352 1/20 0.36

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
Acetic Acid SCHEMBL6476797 0.88 F2 (0.41) OPRM1OPRD1OPRK1PRSS1TMPRSS15
SCHEMBL8723763 0.82 PRSS1 (0.42) PRSS1TMPRSS15ACEF2DGAT1
SCHEMBL6477266 0.76 F2 (0.53) OPRM1OPRD1OPRK1PRSS1DPP4
SCHEMBL6484032 0.72 PRSS1 (0.38) PRSS1TMPRSS15F2DGAT1ALDH1A1
SCHEMBL6437757 0.71 DPP4 (0.69) OPRM1OPRD1OPRK1DPP4ACE
SCHEMBL6437755 0.71 DPP4 (0.69) OPRM1OPRD1OPRK1DPP4ACE
SCHEMBL8933085 0.71 HSD11B1 (0.40) PRSS1TMPRSS15ACEF2DGAT1
SCHEMBL6484948 0.70 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
SCHEMBL5900809 0.68 ACE (0.70) DPP4ACEDPP8DPP9DPP7
SCHEMBL3726263 0.68 ACE (0.70) DPP4ACEDPP8DPP9DPP7

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 OPRM1 4027/4885OPRD1 2224/4885OPRK1 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.