SCHEMBL13675464

SCHEMBL13675464

CC1(C)CCC(N2CCC(Cc3ccc(NC(=O)CCc4ccccc4)cc3Cl)C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
GSPT1 P15170 2/20 0.42
CRBN Q96SW2 2/20 0.42
HSD11B1 P28845 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ABCB1 P08183 1/20 0.38

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
SCHEMBL4514751 0.94 PTGDR2 (0.44) PTGDR2GSPT1CRBNHSD11B1RAB9A
SCHEMBL4514431 0.86 KMT2A (0.44) HSD11B1RAB9ANPC1HDAC8MAPT
SCHEMBL13675469 0.83 HSD11B1 (0.40) HSD11B1MEN1KMT2A
SCHEMBL4516723 0.81 HSD11B1 (0.51) GSPT1CRBNHSD11B1NPC1MAPT
SCHEMBL4514423 0.80 CHRM1 (0.43) PTGDR2HSD11B1RAB9ANPC1MAPT
SCHEMBL13675525 0.80 RORC (0.49) HSD11B1RAB9ANPC1HDAC8MAPT
SCHEMBL4510127 0.79 HSD11B1 (0.47) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5548898 0.79 RORC (0.39) HSD11B1HDAC8MAPTALDH1A1SMN1; SMN2
SCHEMBL4514917 0.77 KMT2A (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4505621 0.77 NPY2R (0.36) HSD11B1MAPTALDH1A1MEN1KMT2A

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 PTGDR2 1319/4885GSPT1 704/4885CRBN 4673/4885

“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.