Sugi Predict

Sugi Predict / Compounds / SCHEMBL914531

SCHEMBL914531

SCHEMBL914531

COc1ccc2occ(COc3cccc4[nH]c(C(=O)NC5CCN(CCN6CCCCCC6)CC5)cc34)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAOA P21397 1/20 0.41
▸ ACHE P22303 2/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTR4 Q13639 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ FLT3 P36888 1/20 0.38

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
SCHEMBL915839 0.94 MAOB (0.47) MAOBKDM4EDRD2DRD3KMT2A
SCHEMBL915016 0.94 MAOB (0.47) MAOBKDM4EDRD2DRD3KMT2A
SCHEMBL914125 0.90 RHEB (0.42) MAOBKDM4EDRD2DRD3KMT2A
SCHEMBL4396402 0.89 MAOB (0.44) MAOBKDM4EDRD2DRD3KMT2A
SCHEMBL914272 0.89 MAOB (0.47) MAOBKDM4EDRD2DRD3KMT2A
SCHEMBL914638 0.88 KMT2A (0.43) KDM4EDRD2DRD3KMT2AMAPT
SCHEMBL6963276 0.85 MAOB (0.43) MAOBKDM4EDRD2DRD3KMT2A
SCHEMBL6963824 0.85 HTR7 (0.42) MAOBDRD2DRD3MAOAALDH1A1
Hydrochloric Acid SCHEMBL914355 0.84 MAOB (0.43) MAOBKDM4EDRD2DRD3KMT2A
SCHEMBL914187 0.84 RHEB (0.42) MAOBKDM4EDRD2DRD3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MAOB 2935/4885KDM4E 4266/4885DRD2 928/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MAOB 3073/4885KDM4E 4275/4885DRD2 914/4885

“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.