SCHEMBL4296485

SCHEMBL4296485

COC(=O)c1cc(-c2ccccc2)n(C)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.55
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
MME P08473 1/20 0.47
RPA1 P27694 2/20 0.47
PLA2G10 O15496 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
PHGDH O43175 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL22578393 0.85 TP53 (0.54) GRM5MMP2MMP13MMP14SMN1; SMN2
SCHEMBL12278777 0.84 NR4A2 (0.49) ALDH1A1HSD17B10MMP2MMP13MMP14
SCHEMBL2203443 0.84 MMP2 (0.49) GRM5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1779589 0.84 CA9 (0.59) GRM5ALDH1A1HPGDMMP2MMP13
SCHEMBL570061 0.83 RPA1 (0.63) GRM5ALDH1A1KDM4ESMN1; SMN2MME
SCHEMBL17324771 0.82 GRM5 (0.56) GRM5ALDH1A1MMERPA1PLA2G10
SCHEMBL13239857 0.82 RPA1 (0.70) SMN1; SMN2RPA1FAAH
SCHEMBL28952698 0.81 SMPD1 (0.62) GRM5MMERPA1PLA2G10PPARG
SCHEMBL167558 0.81 GRM5 (0.58) GRM5ALDH1A1MMERPA1PLA2G10
SCHEMBL2565390 0.80 SMPD1 (0.55) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
EP-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 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 (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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 GRM5 700/4885ALDH1A1 231/4885KDM4E 2891/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 GRM5 4463/4885ALDH1A1 2972/4885KDM4E 4305/4885

“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.