SCHEMBL4656258

SCHEMBL4656258

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H]1CCc2ccccc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.62
ABCB11 O95342 2/20 0.62
AGTR2 P50052 1/20 0.62
PDE3A Q14432 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.61
RIPK1 Q13546 4/20 0.48

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
SCHEMBL7760802 1.00 ACE (0.62) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10907547 1.00 ACE (0.62) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL7760836 1.00 ACE (0.62) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL7756853 1.00 ACE (0.62) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL4655446 1.00 ACE (0.62) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL7426555 0.92 ACE (0.53) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL7428034 0.89 ACE (0.59) ACERIPK1
SCHEMBL13979488 0.89 ACE (0.59) ACERIPK1
SCHEMBL13979490 0.82 RIPK1 (0.48) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL11071769 0.81 ACE (0.48) ACEABCB11AGTR2PDE3ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430031-B1 KINETIC RESOLUTION OF A INTERMEDIATE USEFUL IN THE PRODUCTION OF BENAZEPRIL AND ANALOGUES THEREOF SCINOPHARM TAIWAN LTD (TW) 2008-12-03 EP disclosed
EP-1430031-A4 KINETIC RESOLUTION OF A INTERMEDIATE USEFUL IN THE PRODUCTION OF BENAZEPRIL AND ANALOGUES THEREOF SCINOPHARM TAIWAN LTD (TW) 2004-10-13 EP disclosed
EP-1430031-A2 KINETIC RESOLUTION OF A INTERMEDIATE USEFUL IN THE PRODUCTION OF BENAZEPRIL AND ANALOGUES THEREOF Scinopharm Taiwan, Ltd. (TW) 2004-06-23 EP disclosed
US-20030055245-A1 Kinetic resolution of a intermediate useful in the production of benazepril and analogues thereof SCINOPHARM TAIWAN, LTD. 2003-03-20 US disclosed
WO-2003003972-A2 KINETIC RESOLUTION OF A INTERMEDIATE USEFUL IN THE PRODUCTION OF BENAZEPRIL AND ANALOGUES THEREOF SCINOPHARM TAIWAN, LTD. (TW) 2003-01-16 WO disclosed
WO-2001079176-A1 PROCESS FOR PREPARATION OF 3-[(1'-(ALKOXYCARBONYL)-3'-PHENYLPROPYL)AMINO]-2-OXO-[1]-BENZAZEPINE AND ITS DERIVATIVES SCINOPHARM SINGAPORE PTE LTD (SG) 2001-10-25 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-20030055245-A1 Kinetic resolution of a intermediate useful in the production of benazepril and analogues thereof GABRE, GABRA4, GABRB1 ACE 19/4885ABCB11 2047/4885AGTR2 33/4885

“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.