SCHEMBL647299

SCHEMBL647299

NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc2ccc(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 3/20 0.45
FKBP1A P62942 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
DPP4 P27487 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL21430304 0.79 F2 (0.56) F2ALDH1A1CYP3A4CYP2C9PKM
SCHEMBL5702805 0.75 PREP (0.48) F2ALDH1A1CYP3A4CYP2C9PKM
SCHEMBL2285648 0.75 PREP (0.48) F2ALDH1A1CYP3A4CYP2C9PKM
SCHEMBL11761768 0.75 ALPG (0.55) F2ALDH1A1CYP3A4CYP2C9POLB
SCHEMBL23840793 0.75 F2 (0.74) F2
SCHEMBL14542805 0.75 F2 (0.74) F2
Acetic Acid SCHEMBL11763049 0.71 ALPG (0.51) F2ALDH1A1CYP3A4CYP2C9POLB
SCHEMBL2601967 0.71 ERCC1 (0.59) F2ALDH1A1CYP3A4CYP2C9PKM
SCHEMBL30182028 0.69 KDM4E (0.61) ALDH1A1POLBKDM4ENPC1MEN1
SCHEMBL740253 0.69 KDM4E (0.61) ALDH1A1POLBKDM4ENPC1MEN1

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 31 patents — showing the first 20. 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
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP 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-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
CN-101676264-A Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LAB 2010-03-24 CN disclosed
US-7671076-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-03-02 US disclosed
US-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2008-05-22 US disclosed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
CN-1703399-A Pharmaceutical compositions as dipeptidyl peptidase-IV (DPP-IV) inhibitors ABBOTT LAB (US) 2005-11-30 CN disclosed
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2005-09-29 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 US disclosed
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-22 US disclosed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 WO disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 F2 2374/4885ALDH1A1 2295/4885CYP3A4 704/4885
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 F2 1897/4885ALDH1A1 2289/4885CYP3A4 1277/4885
US-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 F2 1729/4885ALDH1A1 1601/4885CYP3A4 446/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 F2 2374/4885ALDH1A1 2295/4885CYP3A4 704/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 F2 2374/4885ALDH1A1 2295/4885CYP3A4 704/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 F2 2371/4885ALDH1A1 2290/4885CYP3A4 717/4885
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 F2 1729/4885ALDH1A1 1601/4885CYP3A4 446/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 F2 2374/4885ALDH1A1 2295/4885CYP3A4 704/4885
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 F2 1729/4885ALDH1A1 1601/4885CYP3A4 446/4885

“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.