Sugi Predict

Sugi Predict / Compounds / SCHEMBL3667441

SCHEMBL3667441

SCHEMBL3667441

O=P(O)(O)CN1CCc2nc(-c3ccc(O[C@H]4C[C@H](N5CCCCC5)C4)cc3)sc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.45
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PDCD1 Q15116 2/20 0.35
▸ CD274 Q9NZQ7 2/20 0.35
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ DRD3 P35462 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
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ HDAC3 O15379 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
SCHEMBL3667445 1.00 HRH3 (0.45) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL8031615 0.88 HRH3 (0.43) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL3665868 0.87 HRH3 (0.46) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL3665872 0.87 HRH3 (0.46) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL3746743 0.86 HRH3 (0.47) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL3746747 0.86 HRH3 (0.47) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL3672333 0.86 HRH3 (0.45) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL3672334 0.86 HRH3 (0.45) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL8018720 0.84 HRH3 (0.49) HRH3RAB9ANPC1KMT2APDCD1
SCHEMBL3667458 0.83 HRH3 (0.44) HRH3RAB9ANPC1KMT2APDCD1

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 2630/4885RAB9A 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.