SCHEMBL3746747

SCHEMBL3746747

OCCN1CCc2nc(-c3ccc(O[C@H]4C[C@H](N5CCCCC5)C4)cc3)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
PDCD1 Q15116 4/20 0.36
CD274 Q9NZQ7 4/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
GCK P35557 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD3 P35462 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3746743 1.00 HRH3 (0.47) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3668025 0.88 HRH3 (0.44) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3668027 0.88 HRH3 (0.44) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3665417 0.88 HRH3 (0.44) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3665416 0.88 HRH3 (0.44) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3667461 0.88 HRH3 (0.44) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3667458 0.88 HRH3 (0.44) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3665872 0.87 HRH3 (0.46) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3665868 0.87 HRH3 (0.46) HRH3PDCD1CD274RAB9ANPC1
SCHEMBL3667441 0.86 HRH3 (0.45) HRH3PDCD1CD274RAB9ANPC1

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 2 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

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 2630/4885PDCD1 3715/4885CD274 4251/4885

“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.