SCHEMBL4515016

SCHEMBL4515016

COC(=O)C1CCC(N2CCC(Cc3c(Cl)cccc3Cl)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
BTK Q06187 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL4506572 0.85 HSD11B1 (0.45) HSD11B1SMN1; SMN2KDM4ETSHRPOLB
SCHEMBL4514552 0.83 HSD11B1 (0.48) HSD11B1SMN1; SMN2KDM4ETSHRPOLB
SCHEMBL2989122 0.83 HSD11B1 (0.48) HSD11B1SMN1; SMN2KDM4ETSHRPOLB
SCHEMBL2989117 0.83 HSD11B1 (0.48) HSD11B1SMN1; SMN2KDM4ETSHRPOLB
SCHEMBL4523656 0.83 P2RX7 (0.46) BTKSMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL4512811 0.82 HSD11B1 (0.45) HSD11B1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL4505857 0.81 HSD11B1 (0.44) HSD11B1SMN1; SMN2KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL4516692 0.81 HSD11B1 (0.44) HSD11B1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL4511224 0.81 HSD11B1 (0.46) HSD11B1SMN1; SMN2KDM4ETSHRPOLB
SCHEMBL4511941 0.81 HSD11B1 (0.46) HSD11B1

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 1/4885BTK 3901/4885SMN1; SMN2 4487/4885

“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.