SCHEMBL4836713

SCHEMBL4836713

COP(=O)(Cc1ccc(NC(=O)CCc2cncn2-c2ccc(F)cc2)cc1)OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 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
SCHEMBL4837021 0.91 CYP11B1 (0.44) CYP11B1CYP11B2TP53THRBATM
SCHEMBL4833854 0.88 ENPP2 (0.45) CYP11B1CYP11B2TP53THRBATM
SCHEMBL4835333 0.83 ATM (0.41) TP53THRBATMNPSR1MEN1
SCHEMBL6429685 0.81 CYP11B1 (0.42) CYP11B1CYP11B2TP53THRBATM
SCHEMBL6429681 0.80 CYP11B1 (0.41) CYP11B1CYP11B2TP53THRBATM
SCHEMBL4836707 0.80 RXFP1 (0.40) CYP11B1CYP11B2TP53NPSR1MEN1
SCHEMBL4834188 0.79 RAB9A (0.41) CYP11B1CYP11B2TP53THRBMEN1
SCHEMBL4837015 0.79 LMNA (0.39) CYP11B1CYP11B2TP53THRBMEN1
SCHEMBL27632133 0.77 RAB9A (0.40) CYP11B1CYP11B2TP53THRBMEN1
SCHEMBL4835225 0.75 MCHR1 (0.41) TP53THRBMEN1KMT2ALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP11B1 377/4885CYP11B2 90/4885TP53 4623/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP11B1 377/4885CYP11B2 90/4885TP53 4623/4885

“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.