SCHEMBL1669000

SCHEMBL1669000

Cn1c(=O)n(CC2CCC(C(=O)O)CC2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.55
CRHR2 Q13324 1/20 0.44
PIM1 P11309 1/20 0.43
TNKS O95271 6/20 0.42
TNKS2 Q9H2K2 6/20 0.42
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
ACSL1 P33121 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMO O15229 1/20 0.41
PARG Q86W56 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
RORC P51449 2/20 0.41
RORA P35398 1/20 0.40
RORB Q92753 1/20 0.40

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
SCHEMBL1668999 1.00 CRHR1 (0.55) CRHR1CRHR2PIM1TNKSTNKS2
SCHEMBL11893997 0.88 CRHR1 (0.55) CRHR1CRHR2PARGKDM2BGRIN1
SCHEMBL11949873 0.88 CRHR1 (0.53) CRHR1CRHR2PARGKDM2BGRIN1
SCHEMBL11893996 0.88 CRHR1 (0.55) CRHR1CRHR2PARGKDM2BGRIN1
SCHEMBL11949910 0.85 CRHR1 (0.52) CRHR1CRHR2KDM2BGRIN1GRIN2B
SCHEMBL12798276 0.84 CRHR1 (0.49) CRHR1GRIN1GRIN2BRORC
SCHEMBL11893557 0.84 CRHR1 (0.49) CRHR1GRIN1GRIN2BRORC
SCHEMBL11893558 0.84 CRHR1 (0.49) CRHR1GRIN1GRIN2BRORC
SCHEMBL13195250 0.84 PARG (0.43) CRHR1CRHR2TNKSTNKS2PARG
SCHEMBL13195246 0.84 PARG (0.43) CRHR1CRHR2TNKSTNKS2PARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 US disclosed
EP-2485728-B1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH SPA (IT) 2013-07-10 EP disclosed
EP-2485728-B1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH SPA (IT) 2013-07-10 EP disclosed
EP-2485728-A1 WNT PATHWAY ANTAGONISTS Siena Biotech S.p.a. (IT) 2012-08-15 EP disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
WO-2011042145-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2011-04-14 WO disclosed
WO-2011042145-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2011-04-14 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-20120196851-A1 WNT PATHWAY ANTAGONISTS WNT1, WNT3A, CTNNB1 CRHR1 2847/4885CRHR2 3347/4885PIM1 1436/4885

“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.