SCHEMBL6094570

SCHEMBL6094570

O=C(O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC1CCc2n[nH]cc2C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.49
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
ACE P12821 6/20 0.42
ACE2 Q9BYF1 5/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL6178208 0.89 XIAP (0.43) XIAPTACR1
SCHEMBL6093203 0.89 XIAP (0.43) XIAPTACR1
SCHEMBL6195489 0.88 XIAP (0.42) XIAPF2ACEOPRM1OPRD1
SCHEMBL6095928 0.88 XIAP (0.46) XIAPF2PRSS1
Hydrochloric Acid SCHEMBL6094489 0.88 DPP4 (0.47) F2ACEOPRM1OPRD1OPRK1
SCHEMBL6093041 0.84 KDM4E (0.39) XIAPF2
SCHEMBL6095258 0.84 KDM4E (0.39) XIAPF2
SCHEMBL6181452 0.83 XIAP (0.40) XIAPF2PRSS1ACETACR1
SCHEMBL6093256 0.83 XIAP (0.46) XIAPACEACE2OPRM1
SCHEMBL6093332 0.81 TMPRSS11D (0.43) XIAPF2PRSS1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP claimed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US claimed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP claimed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 XIAP 2117/4885F2 2/4885PRSS1 86/4885

“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.