SCHEMBL4092604

SCHEMBL4092604

CCC(CCn1c(Nc2ccc(Br)cc2OC(F)(F)F)nc2c(Cl)ccc(C(CC)CC)c21)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.39
P2RX3 P56373 2/20 0.33
P2RX7 Q99572 2/20 0.32
IDH1 O75874 1/20 0.31
PTGFR P43088 7/20 0.31

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
SCHEMBL3735391 0.86 CRHR1 (0.42) CRHR1P2RX3
SCHEMBL3759280 0.85 CRHR1 (0.40) CRHR1P2RX3
SCHEMBL4092611 0.82 CRHR1 (0.37) CRHR1P2RX7IDH1PTGFR
SCHEMBL3808865 0.82 CRHR1 (0.48) CRHR1P2RX3P2RX7
SCHEMBL3751431 0.76 CRHR1 (0.43) CRHR1P2RX7
SCHEMBL2055965 0.76 CRHR1 (0.60) CRHR1P2RX7
SCHEMBL3737099 0.75 CRHR1 (0.47) CRHR1P2RX3
SCHEMBL3734189 0.74 CRHR1 (0.42) CRHR1P2RX3P2RX7
SCHEMBL3809137 0.74 CRHR1 (0.43) CRHR1
SCHEMBL3725597 0.73 CRHR1 (0.40) CRHR1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 CRHR1 1/4885P2RX3 70/4885P2RX7 117/4885

“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.