SCHEMBL2086149

SCHEMBL2086149

CCC(CC)c1ccc(C(=O)OC)c2nc(Cl)n(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.42
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NR4A2 P43354 1/20 0.33
PTGER4 P35408 1/20 0.33
ADCY10 Q96PN6 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
SCHEMBL2085121 0.79 CRHR1 (0.49) CRHR1SMN1; SMN2
SCHEMBL2056039 0.78 CRHR1 (0.74) CRHR1PTGER4
SCHEMBL2085742 0.77 CRHR1 (0.56) CRHR1SMN1; SMN2
SCHEMBL2085524 0.75 PDE4A (0.40) KDM4EKMT2ANPC1MAPTNFKB1
SCHEMBL3209738 0.75 CRHR1 (0.43) CRHR1SMN1; SMN2ALDH1A1
SCHEMBL2085396 0.73 CRHR1 (0.41) CRHR1
SCHEMBL2084151 0.72 CRHR1 (0.47) CRHR1KDM4EKMT2AGAAMAPT
SCHEMBL2082774 0.72 KDM4E (0.38) CRHR1KDM4EKMT2AGAAMAPT
SCHEMBL3285946 0.67 KDM4E (0.47) KDM4EKMT2AGAAATMMAPT
SCHEMBL3216688 0.66 SMN1; SMN2 (0.46) CRHR1GAARAB9ASMN1; SMN2LMNA

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-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 CRHR1 2/4885KDM4E 1168/4885KMT2A 1504/4885

“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.