SCHEMBL12232803

SCHEMBL12232803

Cn1c(=O)[nH]c2ccc(NCC(=O)N3CCN(c4ccc(Cl)c(F)c4)CC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.48
▸ ADAMTS5 Q9UNA0 5/20 0.48
▸ MMP13 P45452 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12233004 0.91 ACHE (0.40) MMP2ADAMTS5GAAACHECHRM2
SCHEMBL12232285 0.90 ADAMTS5 (0.44) MMP2ADAMTS5RAB9AENPP2GAA
SCHEMBL12232520 0.88 CHRM2 (0.48) MMP2ADAMTS5CHRM2CHRM5CHRM1
SCHEMBL12232280 0.88 KMT2A (0.48) MMP2ADAMTS5MMP13ACHEMAPT
SCHEMBL12232680 0.87 ADAMTS5 (0.49) MMP2ADAMTS5
SCHEMBL12232288 0.86 HTR1A (0.43) RAB9AGAAACHEMAPTHPGD
SCHEMBL12232282 0.85 MMP2 (0.42) MMP2ADAMTS5
SCHEMBL12233005 0.82 MAPT (0.54) GAAMAPTHPGDTP53SMN1; SMN2
SCHEMBL12233864 0.82 MMP2 (0.47) MMP2ADAMTS5MMP13RAB9AGAA
SCHEMBL12232950 0.81 MMP2 (0.49) MMP2ADAMTS5ACHEGRIN1GRIN2B

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 MMP2 4094/4885ADAMTS5 4846/4885MMP13 4672/4885

“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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