SCHEMBL3665872

SCHEMBL3665872

O=C(O)CN1CCc2nc(-c3ccc(OC4CC(N5CCCCC5)C4)cc3)sc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.46
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
DRD3 P35462 1/20 0.35
FFAR1 O14842 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
SCHEMBL3665868 1.00 HRH3 (0.46) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL3672334 0.92 HRH3 (0.45) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL3672333 0.92 HRH3 (0.45) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL8018720 0.91 HRH3 (0.49) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL3746743 0.87 HRH3 (0.47) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL3746747 0.87 HRH3 (0.47) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL3667445 0.87 HRH3 (0.45) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL3667441 0.87 HRH3 (0.45) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL3665417 0.84 HRH3 (0.44) HRH3RAB9ANPC1TLR9TLR8
SCHEMBL3667458 0.84 HRH3 (0.44) HRH3RAB9ANPC1TLR9TLR8

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 3 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 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

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 HRH3 2630/4885RAB9A 1553/4885NPC1 162/4885

“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.