SCHEMBL2661618

SCHEMBL2661618

O=C(O)CCNC(=O)c1ccc2c(c1)nc(Cc1ccc3ccccc3c1)n2Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.47
PPARG P37231 5/20 0.45
RORC P51449 2/20 0.45
PIN1 Q13526 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A2 O94788 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42

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
SCHEMBL2652410 0.81 HDAC1 (0.52) DRD4TP53CNR1CNR2
SCHEMBL7116449 0.78 GCGR (0.50) PPARGEGLN1
SCHEMBL2655061 0.78 PTGDR2 (0.46) PPARGRORCTP53ALDH1A1
SCHEMBL2651576 0.78 EGLN1 (0.48) PPARGPIN1EGLN1
SCHEMBL2653039 0.75 MRGPRX1 (0.51) PPARGPIN1EGLN1
SCHEMBL4985648 0.75 TRPV1 (0.49) PPARGTP53CNR1CNR2
SCHEMBL2652311 0.74 HDAC1 (0.47) PPARGEGLN1
SCHEMBL2652296 0.74 PPARG (0.49) PPARGEGLN1
SCHEMBL2651501 0.74 GCGR (0.43) PPARGRORCALDH1A1
SCHEMBL2652968 0.73 PPARG (0.46) PPARGRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212119-A1 Novel glucagon receptor antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-13 US disclosed
WO-2003053938-A1 BENZIMIDAZOLS AND INDOLS AS GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTEN NOVO NORDISK A/S (DK) 2003-07-03 WO disclosed
WO-2003053938-A1 BENZIMIDAZOLS AND INDOLS AS GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTEN NOVO NORDISK A/S (DK) 2003-07-03 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 (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-20030212119-A1 Novel glucagon receptor antagonists/inverse agonists GLP1R, GCGR, GIPR DRD4 1046/4885PPARG 122/4885RORC 1115/4885

“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.