SCHEMBL648751

SCHEMBL648751

CC1(N)CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ABL1 P00519 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.51
CXCR3 P49682 2/20 0.51
GPR119 Q8TDV5 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD11B1 P28845 1/20 0.49
HSD11B2 P80365 1/20 0.49
PTPN11 Q06124 1/20 0.48
POLB P06746 1/20 0.47
SMO Q99835 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
SCHEMBL23207522 0.79 KDM4E (0.62) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL14996519 0.79 MAPT (0.49) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL8082196 0.78 SMN1; SMN2 (0.62) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL6700510 0.78 PTPN11 (0.57) GPR119PTPN11
SCHEMBL30582921 0.78 KDM4E (0.60) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL16238574 0.78 KDM4E (0.60) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL6990041 0.78 MAPT (0.63) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL6990035 0.78 MAPT (0.63) KDM4EABL1LMNAMAPTSMN1; SMN2
SCHEMBL645763 0.77 PTPN11 (0.54) GPR119PTPN11
SCHEMBL13131034 0.77 MAPT (0.48) KDM4EABL1LMNAMAPTSMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US disclosed
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2013-03-07 US disclosed
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
EP-1560811-B9 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2008-03-05 EP disclosed
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) MADAR DAVID J 2007-11-15 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 US disclosed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 US disclosed
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2004-06-24 US disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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 (8 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-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 KDM4E 1491/4885ABL1 3089/4885LMNA 4094/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 KDM4E 1491/4885ABL1 3089/4885LMNA 4094/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KDM4E 1491/4885ABL1 3089/4885LMNA 4094/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KDM4E 1491/4885ABL1 3089/4885LMNA 4094/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KDM4E 1493/4885ABL1 3118/4885LMNA 4068/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KDM4E 1493/4885ABL1 3118/4885LMNA 4068/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KDM4E 1491/4885ABL1 3089/4885LMNA 4094/4885
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 KDM4E 2945/4885ABL1 1151/4885LMNA 4630/4885

“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.