SCHEMBL5204183

SCHEMBL5204183

COc1cc2c(cc1OC)CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.51
PDE4B Q07343 1/20 0.49
PTPN1 P18031 3/20 0.49
ACE P12821 5/20 0.48
PDE3A Q14432 1/20 0.46
HDAC8 Q9BY41 4/20 0.44
OPRD1 P41143 2/20 0.43
OPRM1 P35372 1/20 0.42

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
SCHEMBL7229378 1.00 AGTR2 (0.51) AGTR2PDE4BPTPN1ACEPDE3A
SCHEMBL6651228 0.88 PTPN1 (0.62) AGTR2PDE4BPTPN1ACEHDAC8
SCHEMBL7220969 0.86 PTPN1 (0.48) PTPN1ACEHDAC8
SCHEMBL7220966 0.86 PTPN1 (0.48) PTPN1ACEHDAC8
SCHEMBL7221395 0.86 AGTR2 (0.46) AGTR2PTPN1ACEPDE3AHDAC8
SCHEMBL7221401 0.86 AGTR2 (0.46) AGTR2PTPN1ACEPDE3AHDAC8
SCHEMBL6951953 0.86 PDE4B (0.52) AGTR2PDE4BPTPN1HDAC8
SCHEMBL9426935 0.85 AGTR2 (0.56) AGTR2PDE4BACEPDE3AOPRD1
SCHEMBL7473700 0.84 HDAC8 (0.58) PTPN1HDAC8OPRD1OPRM1
SCHEMBL7473706 0.84 HDAC8 (0.58) PTPN1HDAC8OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371323-C Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2008-02-27 CN disclosed
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 US disclosed
CN-1298703-C Cyanopyrrolidine Derivatives TAISHO PHARMACENTICAL CO LTD (JP) 2007-02-07 CN disclosed
EP-1746086-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-01-24 EP disclosed
CN-1772733-A Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-05-17 CN disclosed
CN-1715269-A Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-01-04 CN disclosed
US-20040072892-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
CN-1474809-A Cyanopyrrolidine Derivatives ������ҩ��ʽ���� 2004-02-11 CN disclosed
WO-2003101967-A1 PREPARATION OF CHIRAL 1,2,3,4-TETRAHYDRO-6,7-DIALKOXY-3-ISOQUINOLINECARBOXYLIC ACID AND DERIVATIVES BY REACTING LEVODOPA WITH FORMALDEHYDE OR FORMALDEHYDE PRECURSORS APTEX PHARMACHEM INC. (CA) 2003-12-11 WO disclosed
US-6642384-B1 Forming intermediate to moexipril; cyclizing levodopa with formaldehyde; protecting amine, alkylating phenols, esterifying carboxylic acid and optionally deprotecting BRANTFORD CHEMICALS INC. (CA) 2003-11-04 US disclosed
EP-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 EP 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 (3 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-20040072892-A1 Cyanopyrrolidine derivatives CCR9, OPRD1, CBR1 AGTR2 236/4885PDE4B 3933/4885PTPN1 1331/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 AGTR2 128/4885PDE4B 375/4885PTPN1 2183/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT AGTR2 105/4885PDE4B 4557/4885PTPN1 1963/4885

“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.