SCHEMBL3963952

SCHEMBL3963952

COc1ccc(-c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GPR119 Q8TDV5 1/20 0.53
HTT P42858 2/20 0.53
BACE1 P56817 2/20 0.52
CTSD P07339 1/20 0.52
CTSE P14091 1/20 0.52
SRC P12931 1/20 0.50
STS P08842 2/20 0.49
MMP1 P03956 3/20 0.48
MMP3 P08254 3/20 0.48
MMP7 P09237 3/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
MMP13 P45452 3/20 0.48
MMP2 P08253 2/20 0.48
CALCRL Q16602 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 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
SCHEMBL3249934 0.90 GPR119 (0.51) ALDH1A1GPR119HTTBACE1CTSD
SCHEMBL3964155 0.89 DRD2 (0.54) GPR119SRCCALCRLHCAR1PTPN2
SCHEMBL3956627 0.89 HCAR1 (0.47) GPR119HTTBACE1CTSDCTSE
SCHEMBL17803209 0.89 FPR2 (0.48) ALDH1A1GPR119HTTBACE1CTSD
SCHEMBL2104155 0.89 DRD2 (0.56) GPR119SRCCALCRLKDM4EHCAR1
SCHEMBL3959613 0.88 ABL1 (0.53) ALDH1A1GPR119HTTBACE1CTSD
SCHEMBL3956545 0.86 PRKCG (0.46) ALDH1A1GPR119HTTBACE1CTSD
SCHEMBL3965386 0.85 HCAR1 (0.45) ALDH1A1GPR119HTTBACE1CTSD
SCHEMBL3968550 0.82 EGFR (0.51) GPR119HTTSRCCALCRLKDM4E
SCHEMBL3964847 0.82 HCAR1 (0.44) GPR119SRCCALCRLKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
EP-0927192-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-07-07 EP disclosed
WO-1998011128-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1998-03-19 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ALDH1A1 2929/4885GPR119 263/4885HTT 2686/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ALDH1A1 2196/4885GPR119 407/4885HTT 3314/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS ALDH1A1 1704/4885GPR119 241/4885HTT 3583/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ALDH1A1 2196/4885GPR119 407/4885HTT 3314/4885

“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.