SCHEMBL13675620

SCHEMBL13675620

O=C1C(Cc2ccc(-c3cccc(Cl)c3)cc2Cl)CCN1C1CCC2(CC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
DPP4 P27487 3/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
ROCK2 O75116 1/20 0.35
MCHR1 Q99705 1/20 0.35
PGR P06401 7/20 0.34
FASN P49327 1/20 0.33
CYP2D6 P10635 1/20 0.33
GRM5 P41594 1/20 0.33
PDE4A P27815 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GRM2 Q14416 1/20 0.33
DCLRE1B Q9H816 1/20 0.32
CXCR3 P49682 1/20 0.32

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
SCHEMBL13675467 0.91 HSD11B1 (0.39) HSD11B1ROCK2MCHR1PGRCXCR3
SCHEMBL13674540 0.89 HSD11B1 (0.37) HSD11B1DPP4DPP8DPP9ROCK2
SCHEMBL4508940 0.89 HSD11B1 (0.37) HSD11B1DPP4DPP8DPP9ROCK2
SCHEMBL13675549 0.88 HSD11B1 (0.41) HSD11B1ROCK2
SCHEMBL13675573 0.88 MCHR1 (0.37) HSD11B1ROCK2MCHR1
SCHEMBL13675523 0.87 DPP4 (0.37) HSD11B1DPP4DPP8DPP9CYP2D6
SCHEMBL13675465 0.84 AVPR1A (0.42) MCHR1
SCHEMBL13675572 0.83 KMT2A (0.35) HSD11B1ROCK2
SCHEMBL13675513 0.80 HSD11B1 (0.34) HSD11B1ROCK2
SCHEMBL3554331 0.80 HSD11B1 (0.60) HSD11B1ROCK2MCHR1PGR

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 HSD11B1 1/4885DPP4 221/4885DPP8 489/4885

“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.