Sugi Predict

Sugi Predict / Compounds / SCHEMBL648985

SCHEMBL648985

SCHEMBL648985

CC1(NC(=O)OCc2ccccc2)CCN(c2ccc(C(=O)OC(C)(C)C)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HDAC1 Q13547 6/20 0.44
▸ P2RY12 Q9H244 1/20 0.44
▸ RET P07949 7/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ MAPKAPK3 Q16644 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL4702078 0.89 HDAC1 (0.48) CRBNNPC1RAB9AKMT2AHDAC1
SCHEMBL14263095 0.86 JMJD6 (0.42) RET
SCHEMBL647439 0.83 DRD4 (0.43) HDAC1RETALDH1A1
SCHEMBL646250 0.82 TGM2 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL646364 0.80 DPP4 (0.49) RET
SCHEMBL647583 0.80 HSD17B10 (0.51) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL20046086 0.78 GPR119 (0.48) CRBNNPC1RAB9AKMT2AHDAC1
SCHEMBL551650 0.77 MEN1 (0.48) KMT2ATSHRMEN1
SCHEMBL19580854 0.77 HDAC1 (0.57) NPC1RAB9AKMT2AHDAC1P2RY12
SCHEMBL6703611 0.77 RET (0.56) RET

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 13 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
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

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

For each of this compound's patents that has machine-readable text (7 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 CRBN 3908/4885NPC1 647/4885RAB9A 4241/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 CRBN 3908/4885NPC1 647/4885RAB9A 4241/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CRBN 3908/4885NPC1 647/4885RAB9A 4241/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CRBN 3908/4885NPC1 647/4885RAB9A 4241/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CRBN 3867/4885NPC1 637/4885RAB9A 4226/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CRBN 3867/4885NPC1 637/4885RAB9A 4226/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CRBN 3908/4885NPC1 647/4885RAB9A 4241/4885

“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.