SCHEMBL13675523

SCHEMBL13675523

NC(=O)c1cccc(-c2ccc(CC3CCN(C4CCC5(CC4)CC5)C3=O)c(Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 2/20 0.37
MAP3K14 Q99558 1/20 0.36
FFAR2 O15552 1/20 0.36
RORC P51449 1/20 0.36
HSD11B1 P28845 2/20 0.35
OPRM1 P35372 4/20 0.35
ARRB1 P49407 3/20 0.35
CTSC P53634 1/20 0.35
TDP2 O95551 1/20 0.35
OPRK1 P41145 2/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
IP6K1 Q92551 1/20 0.34
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
SSTR2 P30874 1/20 0.33

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
SCHEMBL4505542 0.91 MAP3K14 (0.39) DPP4DPP8MAP3K14FFAR2RORC
SCHEMBL13674538 0.91 MAP3K14 (0.39) DPP4DPP8MAP3K14FFAR2RORC
SCHEMBL13675620 0.87 HSD11B1 (0.39) DPP4DPP8HSD11B1DPP9CYP2D6
SCHEMBL13675549 0.85 HSD11B1 (0.41) HSD11B1KCNH2NR4A2
SCHEMBL13675572 0.84 KMT2A (0.35) HSD11B1
SCHEMBL13675467 0.83 HSD11B1 (0.39) HSD11B1
SCHEMBL13675573 0.83 MCHR1 (0.37) HSD11B1
SCHEMBL13675465 0.83 AVPR1A (0.42)
SCHEMBL13674536 0.83 HRH3 (0.39) HSD11B1TDP2
SCHEMBL5543774 0.83 HRH3 (0.39) HSD11B1TDP2

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 DPP4 221/4885DPP8 489/4885MAP3K14 1830/4885

“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.