SCHEMBL3669151

SCHEMBL3669151

O[C@H]1C[C@@H](N2CCc3nc(-c4ccc(O[C@H]5C[C@H](N6CCCCC6)C5)cc4)sc3C2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.45
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 1/20 0.34
GRM5 P41594 2/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL3669148 1.00 HRH3 (0.45) HRH3PDCD1CD274NPC1RAB9A
SCHEMBL3746743 0.84 HRH3 (0.47) HRH3PDCD1CD274NPC1RAB9A
SCHEMBL3665906 0.84 HRH3 (0.49) HRH3NPC1RAB9AKMT2AGRM5
SCHEMBL3663543 0.84 HRH3 (0.47) HRH3NPC1RAB9AKMT2AGRM5
SCHEMBL3663544 0.84 HRH3 (0.47) HRH3NPC1RAB9AKMT2AGRM5
SCHEMBL3664942 0.84 HRH3 (0.49) HRH3NPC1RAB9AKMT2AGRM5
SCHEMBL3664945 0.84 HRH3 (0.49) HRH3NPC1RAB9AKMT2AGRM5
SCHEMBL3746747 0.84 HRH3 (0.47) HRH3PDCD1CD274NPC1RAB9A
SCHEMBL3665904 0.84 HRH3 (0.49) HRH3NPC1RAB9AKMT2AGRM5
SCHEMBL3667445 0.83 HRH3 (0.45) HRH3PDCD1CD274NPC1RAB9A

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 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.