SCHEMBL12232812

SCHEMBL12232812

Cc1cc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]c(=O)n(C)c4c3)C[C@H]2C)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 5/20 0.46
▸ MMP2 P08253 4/20 0.46
▸ MMP14 P50281 2/20 0.46
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 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
SCHEMBL12232500 0.92 ADAMTS5 (0.44) ADAMTS5MMP2
SCHEMBL12232279 0.90 GRIN2D (0.44) ADAMTS5MMP2LRRK2LMNAMAPT
SCHEMBL12232681 0.86 MMP2 (0.42) ADAMTS5MMP2MMP14LRRK2
SCHEMBL12232283 0.86 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12233840 0.86 ADAMTS5 (0.51) ADAMTS5MMP2MMP14ADAMTS4
SCHEMBL12233837 0.84 ALDH1A1 (0.42) ADAMTS5MMP2MMP14RAB9ASMN1; SMN2
SCHEMBL12232825 0.84 MMP2 (0.46) ADAMTS5MMP2MMP14NPC1RAB9A
SCHEMBL12232459 0.83 GRIN2D (0.53) —
SCHEMBL12233006 0.82 LRRK2 (0.38) LRRK2GFER
SCHEMBL12233805 0.79 GRIN1 (0.51) ADAMTS5MMP2MMP14NPC1RAB9A

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 ADAMTS5 4846/4885MMP2 4094/4885MMP14 4505/4885

“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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