SCHEMBL3672172

SCHEMBL3672172

c1cc2nc(-c3ccc(O[C@H]4C[C@H](N5CCCCC5)C4)cc3)[nH]c2cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HRH3 Q9Y5N1 5/20 0.47
▸ AURKA O14965 1/20 0.46
▸ HPSE Q9Y251 1/20 0.44
▸ ACHE P22303 4/20 0.42
▸ CHEK2 O96017 5/20 0.40

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
SCHEMBL3672168 1.00 ALDH1A1 (0.49) ALDH1A1PKMKDM4EHPGDNPC1
SCHEMBL3668215 0.75 HRH3 (0.51) KDM4ENPC1RAB9AHRH3
SCHEMBL3668213 0.75 HRH3 (0.51) KDM4ENPC1RAB9AHRH3
SCHEMBL19137937 0.75 ALDH1A1 (0.59) ALDH1A1PKMKDM4EHPGDNPC1
SCHEMBL19175780 0.74 ALDH1A1 (0.61) ALDH1A1PKMKDM4EHPGDNPC1
SCHEMBL5591310 0.71 ALDH1A1 (0.65) ALDH1A1PKMKDM4EHPGDNPC1
SCHEMBL6245632 0.70 ALDH1A1 (0.71) ALDH1A1PKMKDM4EHPGDNPC1
SCHEMBL30542055 0.68 HRH3 (0.53) ALDH1A1KDM4ENPC1RAB9AHRH3
SCHEMBL3669609 0.68 HRH3 (0.49) HRH3CHEK2
SCHEMBL3665188 0.68 HRH3 (0.49) HRH3CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US claimed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 — — EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 — — WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 — — WO 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 ALDH1A1 890/4885PKM 906/4885KDM4E 3077/4885

“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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