SCHEMBL8223229

SCHEMBL8223229

CNc1cc(CN2CCC(C(=O)N3CCN(Cc4ccccc4Br)CC3)CC2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ IKBKE Q14164 1/20 0.45

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
SCHEMBL14456909 0.86 CYP3A4 (0.53) TBK1MEN1KMT2AALOX15TSHR
SCHEMBL14456681 0.86 KMT2A (0.52) TBK1MEN1KMT2AALOX15TSHR
SCHEMBL14456744 0.83 KMT2A (0.56) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL13588425 0.81 TBK1 (0.51) TBK1
SCHEMBL13588406 0.79 ACKR3 (0.51) TBK1MEN1KMT2AALOX15TSHR
SCHEMBL13588416 0.79 TBK1 (0.49) TBK1
SCHEMBL14456698 0.77 KMT2A (0.52) MEN1KMT2AALOX15TSHRMAPK1
SCHEMBL8418718 0.77 ACKR3 (0.55) TBK1
SCHEMBL14469295 0.76 TBK1 (0.51) TBK1
SCHEMBL14469361 0.76 TBK1 (0.47) TBK1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R TBK1 2533/4885MEN1 991/4885KMT2A 193/4885

“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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