SCHEMBL12232804

SCHEMBL12232804

Cc1cc(N2CCN(C(=O)CNc3ccc4[nH]c(=O)n(C)c4c3)[C@H](C)C2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.40
▸ CHRM2 P08172 2/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ ADAMTS5 Q9UNA0 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ MAOB P27338 1/20 0.35

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
SCHEMBL12232520 0.91 CHRM2 (0.48) CCR1CHRM2CHRM5CHRM1CHRM3
SCHEMBL12232281 0.90 MAOB (0.40) CCR1LRRK2MAOB
SCHEMBL12232285 0.88 ADAMTS5 (0.44) CCR1ADAMTS5MMP2MAOB
SCHEMBL12233867 0.86 CCR1 (0.40) CCR1CHRM2CHRM5CHRM1CHRM3
SCHEMBL12232682 0.85 CHRM2 (0.47) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL12233840 0.85 ADAMTS5 (0.51) ADAMTS5MMP2MMP14
SCHEMBL12232523 0.82 LRRK2 (0.42) LRRK2ADAMTS5
SCHEMBL12232806 0.81 CHRM1 (0.41) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL12232803 0.78 MMP2 (0.48) CHRM2CHRM5CHRM1CHRM3ADAMTS5
SCHEMBL12232679 0.77 ALDH1A1 (0.51) —

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 CCR1 767/4885CHRM2 108/4885CHRM5 68/4885

“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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