SCHEMBL4911273

SCHEMBL4911273

CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@H]1C(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.53
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.41
CTSD P07339 2/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
DPP4 P27487 4/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL8426486 1.00 RECQL (0.53) RECQLUSP2SMN1; SMN2HSD17B10CTSD
SCHEMBL13462046 0.89 HPGD (0.49) RECQLHSD17B10DPP4HPGDMEN1
SCHEMBL4922712 0.89 HPGD (0.49) RECQLHSD17B10DPP4HPGDMEN1
SCHEMBL8426484 0.83 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL13567876 0.83 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL8272250 0.83 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL13567832 0.83 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL8426465 0.82 HSD17B10 (0.43) RECQLHSD17B10DPP4HPGDMEN1
SCHEMBL13567875 0.81 RECQL (0.53) RECQLUSP2SMN1; SMN2HSD17B10DPP4
SCHEMBL13567830 0.81 RECQL (0.53) RECQLUSP2SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2008-05-22 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 (1 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-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 RECQL 2381/4885USP2 1791/4885SMN1; SMN2 4790/4885

“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.