SCHEMBL6452471

SCHEMBL6452471

CCc1cccc(CC)c1N1C(=O)c2ccc(O)cc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 1.00
DPP4 P27487 5/20 1.00
ESR1 P03372 11/20 0.58
ESR2 Q92731 7/20 0.54
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL987786 0.83 ANPEP (0.70) ANPEPDPP4CRHBPCRHR2LMNA
SCHEMBL987346 0.81 DPP4 (0.68) ANPEPDPP4CRHBPCRHR2LMNA
SCHEMBL29382376 0.81 DPP4 (0.68) ANPEPDPP4CRHBPCRHR2LMNA
SCHEMBL9812607 0.81 ANPEP (0.68) ANPEPDPP4ESR1CRHBPCRHR2
SCHEMBL22221562 0.80 ANPEP (0.66) ANPEPDPP4CRHBPCRHR2LMNA
SCHEMBL16601770 0.77 NPC1 (0.66) ANPEPDPP4ESR1CRHBPCRHR2
SCHEMBL173289 0.77 ANPEP (1.00) ANPEPDPP4ESR1ESR2
SCHEMBL9812679 0.77 ANPEP (0.62) ANPEPDPP4LMNAMAPTHTT
SCHEMBL9588813 0.76 ANPEP (0.79) ANPEPDPP4ESR1ESR2
SCHEMBL31012107 0.75 ESR1 (0.90) ANPEPDPP4ESR1ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2769715-A2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2014-08-27 EP disclosed
US-8410053-B2 Methods for treating autoimmune disorders, and reagents related thereto TRUSTEES OF TUFTS COLLEGE (US) 2013-04-02 US disclosed
US-20120232004-A1 Methods for Treating Autoimmune Disorders, and Reagents Related Thereto THE BRIGHAM AND WOMEN'S HOSPITAL (US) 2012-09-13 US disclosed
US-20050070459-A1 treating Type I diabetes, septic shock, multiple sclerosis, inflammatory bowel disease (IBD) and Crohn's disease with BoroProline-Pinacol or other proline derivatives; dipeptidylpeptidase inhibitor BRIGHAM AND WOMEN"S HOSPITAL (US) 2005-03-31 US disclosed
EP-1487471-A2 METHODS FOR TREATING AUTOIMMUNE DISORDERS AND REAGENTS RELATED THERETO Trustees of Tufts College (US) 2004-12-22 EP disclosed
WO-2003045228-A9 METHODS FOR TREATING AUTOIMMUNE DISORDERS, AND REAGENTS RELATED THERETO TUFTS COLLEGE (US) 2004-09-16 WO disclosed
WO-2003045228-A2 METHODS FOR TREATING AUTOIMMUNE DISORDERS, AND REAGENTS RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2003-06-05 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 (2 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-20050070459-A1 treating Type I diabetes, septic shock, multiple sclerosis, inflammatory bowel disease (IBD) and Crohn's disease with BoroProline-Pinacol or other proline derivatives; dipeptidylpeptidase inhibitor DNPEP, PREP, VIP ANPEP 21/4885DPP4 11/4885ESR1 4571/4885
US-20120232004-A1 Methods for Treating Autoimmune Disorders, and Reagents Related Thereto TNF, HLA-DRB1, IAPP ANPEP 2453/4885DPP4 307/4885ESR1 4764/4885

“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.