SCHEMBL647534

SCHEMBL647534

CC#C[C@H]1CC[C@@H](C(=O)OC)N1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
GRM5 P41594 3/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
TSHR P16473 1/20 0.31
LPO P22079 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL646551 0.83 GRM5 (0.33) GRM5TP53
SCHEMBL647971 0.83 GRM5 (0.33) GRM5TP53
SCHEMBL11968246 0.83 GRM5 (0.33) GRM5TP53
SCHEMBL8070152 0.83 GRM5 (0.33) GRM5TP53
SCHEMBL647239 0.82 DPP4 (0.41) DPP4
SCHEMBL7692263 0.74 TSHR (0.48) TP53KMT2AMMP2ANPEPTSHR
SCHEMBL12837215 0.74 ALDH1A1 (0.36) GRM5TP53KMT2AMMP2ANPEP
SCHEMBL646675 0.73 TSHR (0.34) TP53KMT2ASMN1; SMN2MMP2ANPEP
SCHEMBL25867038 0.72 CHRM2 (0.38) SMN1; SMN2
SCHEMBL4979659 0.71 CHRM2 (0.42) DPP4SMN1; 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 5 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-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 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
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 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 (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-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885GRM5 622/4885TP53 3419/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885GRM5 638/4885TP53 3474/4885

“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.