SCHEMBL4511293

SCHEMBL4511293

O=C(O)NCC(=O)Nc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.54
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4524141 0.92 HSD11B1 (0.55) HSD11B1EPHX2ALDH1A1SMN1; SMN2MCHR1
SCHEMBL13674500 0.89 HSD11B1 (0.55) HSD11B1EPHX2LMNAMAPTNPSR1
SCHEMBL4518194 0.89 HSD11B1 (0.54) HSD11B1EPHX2MEN1KMT2AMAPK8
SCHEMBL13674499 0.89 HSD11B1 (0.47) HSD11B1EPHX2ALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4524662 0.89 HSD11B1 (0.54) HSD11B1EPHX2LMNAMAPTNPSR1
SCHEMBL4515134 0.88 HSD11B1 (0.63) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4501204 0.88 HSD11B1 (0.56) HSD11B1EPHX2ALDH1A1
SCHEMBL4516256 0.86 HSD11B1 (0.54) HSD11B1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL4501901 0.86 HSD11B1 (0.60) HSD11B1EPHX2KMT2AMAPK8
SCHEMBL4515700 0.85 HSD11B1 (0.54) HSD11B1EPHX2GAA

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 2 patents. 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
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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 1/4885EPHX2 670/4885ALDH1A1 51/4885

“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.