SCHEMBL12232260

SCHEMBL12232260

C[C@@H]1CN(C(=O)CNc2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GRIN2D O15399 2/20 0.38
▸ GRIN3B O60391 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ GRIN2C Q14957 2/20 0.38
▸ GRIN3A Q8TCU5 2/20 0.38
▸ CXCR3 P49682 2/20 0.37

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
SCHEMBL12232329 0.90 CXCR3 (0.39) CXCR3
SCHEMBL12508537 0.87 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12233027 0.85 TRPV1 (0.43) TRPV1CXCR3
SCHEMBL12233848 0.85 BRD4 (0.42) TRPV1CXCR3
SCHEMBL12232969 0.83 ENPP2 (0.49) TRPV1
SCHEMBL12232535 0.81 KIF11 (0.43) TRPV1CXCR3
SCHEMBL12232275 0.81 PTK2B (0.40) TRPV1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12232250 0.81 ADAMTS5 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232737 0.80 ADAMTS5 (0.39) —
SCHEMBL12232644 0.80 CHRM2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20110251212-A1 PIPERAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2011-10-13 — — 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-20110251212-A1 PIPERAZINE DERIVATIVES GRIN2C, NR2C2, GRIN3A TRPV1 830/4885KCNH2 290/4885GRIN2D 25/4885

“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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