SCHEMBL6092070

SCHEMBL6092070

Nc1ncc2c(n1)CCC(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
F2 P00734 6/20 0.40
F10 P00742 1/20 0.40
XIAP P98170 2/20 0.40
TACR1 P25103 4/20 0.39
SCN5A Q14524 1/20 0.38
SCN3A Q9NY46 1/20 0.38
F11 P03951 1/20 0.37
PRCP P42785 1/20 0.37
TSHR P16473 1/20 0.36
BIRC2 Q13490 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 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
SCHEMBL6181089 0.90 SCN5A (0.40) F2F10SCN5ASCN3AF11
Hydrochloric Acid SCHEMBL6093146 0.89 SCN5A (0.39) F2F10SCN5ASCN3AF11
SCHEMBL6093274 0.89 XIAP (0.40) TAAR1XIAPTACR1PRCPTSHR
SCHEMBL6093180 0.85 TAAR1 (0.41) TAAR1F2XIAPTACR1SCN5A
SCHEMBL6094023 0.80 F2 (0.52) F2F10SCN5ASCN3A
SCHEMBL6219378 0.80 F2 (0.52) F2F10SCN5ASCN3A
SCHEMBL6094199 0.80 F2 (0.46) F2F10XIAPSCN5ASCN3A
SCHEMBL6178144 0.78 DPP4 (0.40) KDR
SCHEMBL6093256 0.78 XIAP (0.46) XIAP
Hydrochloric Acid SCHEMBL6094305 0.78 DPP4 (0.41) KDR

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 TAAR1 3197/4885F2 2/4885F10 65/4885

“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.