SCHEMBL6092954

SCHEMBL6092954

O=C(O)[C@@H]1CCCN1C(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.49
ACE2 Q9BYF1 3/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DPP4 P27487 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
ITGA4 P13612 1/20 0.47

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
SCHEMBL6438383 0.80 ACE (0.53) ACEACE2ALDH1A1SMN1; SMN2DPP4
SCHEMBL9679769 0.79 ALDH1A1 (0.44) ACEALDH1A1SMN1; SMN2ITGB3ITGB1
SCHEMBL6438881 0.77 DPP4 (0.69) ACEACE2DPP4
SCHEMBL22209470 0.77 PREP (0.69) ACEACE2SMN1; SMN2DPP4
SCHEMBL7423200 0.77 DPP4 (0.69) ACEACE2DPP4
SCHEMBL6782785 0.77 DPP4 (0.69) ACEACE2DPP4
SCHEMBL22811348 0.77 PREP (0.69) ACEACE2SMN1; SMN2DPP4
SCHEMBL6792962 0.76 THRB (0.55) ACEACE2ALDH1A1SMN1; SMN2DPP4
SCHEMBL5544779 0.76 THRB (0.55) ACEACE2ALDH1A1SMN1; SMN2DPP4
SCHEMBL6436570 0.76 ACE (0.49) ACEACE2ALDH1A1SMN1; SMN2DPP4

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-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 ACE 87/4885ACE2 217/4885ALDH1A1 2395/4885

“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.