SCHEMBL1272124

SCHEMBL1272124

CC(=O)[C@@H]1CN2CCC[C@@H]2CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HPGD P15428 1/20 0.37
PREP P48147 1/20 0.36
UCHL1 P09936 1/20 0.36
TSHR P16473 1/20 0.35
EPHX1 P07099 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
SCHEMBL14343539 0.89 HSD17B10 (0.49) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL1272381 0.88 HSD17B10 (0.42) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL1271995 0.88 HSD17B10 (0.42) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL30700635 0.86 NR1H2 (0.42) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL1273232 0.85 HSD17B10 (0.41) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL1273344 0.85 HSD17B10 (0.41) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL1272276 0.82 HSD17B10 (0.39) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL25625816 0.80 MC4R (0.40) HSD17B10NPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL24106710 0.78 MEN1 (0.41) HSD17B10NPC1SMN1; SMN2LMNANPSR1
SCHEMBL5423413 0.77 HSD17B10 (0.61) HSD17B10NPC1SMN1; SMN2LMNANPSR1

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-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 HSD17B10 3459/4885NPC1 1601/4885SMN1; SMN2 672/4885

“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.