SCHEMBL2071032

SCHEMBL2071032

CCOC(=O)CC(=O)c1c(Br)ncn1-c1ccc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 5/20 0.39
GABRG2 P18507 5/20 0.39
GABRB3 P28472 5/20 0.39
GABRA5 P31644 5/20 0.39
GABRA1 P14867 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
LMNA P02545 2/20 0.39
HCAR1 Q9BXC0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL4656876 0.86 POLB (0.43) MEN1KMT2APOLBL3MBTL1TP53
SCHEMBL2070675 0.86 GABRG2 (0.46) MEN1KMT2APOLBTP53GABRG2
Hydrochloric Acid SCHEMBL2070338 0.77 HCAR1 (0.44) MEN1KMT2APOLBTP53LMNA
SCHEMBL2070757 0.74 NPSR1 (0.38) MEN1KMT2APOLBTP53GABRG2
SCHEMBL2070756 0.74 NPSR1 (0.38) MEN1KMT2APOLBTP53GABRG2
SCHEMBL11766232 0.69 SMN1; SMN2 (0.53) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL2069971 0.67 LMNA (0.47) MEN1KMT2AL3MBTL1TP53LMNA
SCHEMBL1166949 0.66 KMT2A (0.54) MEN1KMT2APOLBTP53SMN1; SMN2
SCHEMBL2071880 0.66 CYP11B2 (0.46) MEN1KMT2AL3MBTL1TP53GABRG2
SCHEMBL21628359 0.64 KMT2A (0.46) KMT2APOLBL3MBTL1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 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 (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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R MEN1 860/4885KMT2A 983/4885POLB 4201/4885

“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.