SCHEMBL4479812

SCHEMBL4479812

CCC(CC)c1cc(C)c2nc(-c3ccc(C)cc3C)c(C(N)=O)n2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.39
HSP90AB1 P08238 1/20 0.34
CTSA P10619 1/20 0.33
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GLA P06280 1/20 0.31
DGAT1 O75907 1/20 0.30
SOAT1 P35610 1/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TSPO P30536 1/20 0.30

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
SCHEMBL4492009 0.88 CRHR1 (0.36) CRHR1
SCHEMBL4498283 0.88 CRHR1 (0.54) CRHR1TLR8
SCHEMBL4494321 0.87 CRHR1 (0.44) CRHR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL4489221 0.82 CRHR1 (0.37) CRHR1
SCHEMBL4482995 0.82 CRHR1 (0.42) CRHR1KDM4EALDH1A1MAPT
SCHEMBL4500640 0.81 CRHR1 (0.47) CRHR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL4483814 0.81 CRHR1 (0.45) CRHR1
SCHEMBL4494259 0.80 CRHR1 (0.44) CRHR1
SCHEMBL4487108 0.78 CRHR1 (0.34) CRHR1
SCHEMBL4499176 0.72 CRHR1 (0.46) CRHR1

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-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
EP-1961745-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND CRHR1, NR3C1, CNR1 CRHR1 1/4885HSP90AB1 2683/4885CTSA 1923/4885

“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.