SCHEMBL2084814

SCHEMBL2084814

CCC(CC)c1ccc(-c2ccco2)c2nc(Cl)n(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.38
ADORA3 P0DMS8 4/20 0.34
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
ADORA2B P29275 3/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 4/20 0.34
RECQL P46063 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
PTPN7 P35236 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAPDH P04406 1/20 0.34
NR4A1 P22736 1/20 0.34

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
SCHEMBL2056031 0.78 CRHR1 (0.45) CRHR1ADORA3HPGDPOLBALOX15
SCHEMBL2085742 0.76 CRHR1 (0.56) CRHR1SMN1; SMN2
SCHEMBL2085121 0.75 CRHR1 (0.49) CRHR1SMN1; SMN2
SCHEMBL3209738 0.74 CRHR1 (0.43) CRHR1HPGDALDH1A1SMN1; SMN2
SCHEMBL2085909 0.72 CRHR1 (0.50) CRHR1ALDH1A1MAPTPDE4B
SCHEMBL3210010 0.72 CRHR1 (0.44) CRHR1KDM4EALDH1A1HSD17B10RECQL
SCHEMBL2085396 0.72 CRHR1 (0.41) CRHR1
SCHEMBL2086603 0.71 ADORA2A (0.38) CRHR1ADORA2AADORA1ADORA2BKDM4E
SCHEMBL2084151 0.71 CRHR1 (0.47) CRHR1KDM4EHPGDALDH1A1MEN1
SCHEMBL3216688 0.68 SMN1; SMN2 (0.46) CRHR1POLBSMN1; SMN2TP53RAB9A

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 2/4885ADORA3 295/4885ADORA2A 658/4885

“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.