SCHEMBL13180348

SCHEMBL13180348

CCc1cn(-c2cc(C)ccc2F)nn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 17/20 0.64
▸ GRIN1 Q05586 17/20 0.64
▸ GRIN2B Q13224 17/20 0.64
▸ NOTUM Q6P988 2/20 0.47
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL19211471 0.87 NOTUM (0.64) RXRAGRIN1GRIN2BNOTUM
SCHEMBL14302898 0.80 NOTUM (0.71) RXRAGRIN1GRIN2BNOTUM
SCHEMBL19219546 0.79 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL19219548 0.76 RXRA (0.84) RXRAGRIN1GRIN2B
SCHEMBL20468184 0.74 NOTUM (0.72) RXRAGRIN1GRIN2BNOTUMKCNH2
SCHEMBL19219547 0.73 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL13255707 0.72 NOTUM (0.54) RXRAGRIN1GRIN2BNOTUMKCNH2
SCHEMBL25165158 0.71 RXRA (0.56) RXRAGRIN1GRIN2BNOTUMKCNH2
SCHEMBL17666326 0.71 RXRA (0.51) RXRAGRIN1GRIN2BNOTUM
SCHEMBL19211358 0.71 NOTUM (0.68) RXRAGRIN1GRIN2BNOTUM

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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 RXRA 268/4885GRIN1 2647/4885GRIN2B 1372/4885

“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.

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