SCHEMBL12232285

SCHEMBL12232285

Cc1cc(N2CCN(C(=O)CNc3ccc4[nH]c(=O)n(C)c4c3)CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 2/20 0.44
▸ CCR1 P32246 1/20 0.44
▸ HTR1A P08908 2/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ HTR1B P28222 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL12232803 0.90 MMP2 (0.48) ADAMTS5RAB9AENPP2MAPTSMN1; SMN2
SCHEMBL12232280 0.89 KMT2A (0.48) ADAMTS5HTR1AMAPTSMN1; SMN2TP53
SCHEMBL12232804 0.88 CCR1 (0.40) ADAMTS5CCR1MMP2MAOB
SCHEMBL12233840 0.86 ADAMTS5 (0.51) ADAMTS5MMP2ALDH1A1
SCHEMBL12232283 0.84 SMN1; SMN2 (0.47) RAB9AMAPTSMN1; SMN2TP53POLB
SCHEMBL12233004 0.84 ACHE (0.40) ADAMTS5CCR1HTR1AHTR1DHTR1B
SCHEMBL12232827 0.83 ACHE (0.46) ADAMTS5CCR1HTR1AHTR1DHTR1B
SCHEMBL12232679 0.82 ALDH1A1 (0.51) MAPTSMN1; SMN2TP53GAAKMT2A
SCHEMBL12232768 0.82 ACHE (0.46) CCR1ENPP2ACHE
SCHEMBL12232288 0.79 HTR1A (0.43) HTR1AHTR1DHTR1BRAB9AMAPT

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 4846/4885CCR1 767/4885HTR1A 288/4885

“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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