Sugi Predict

Sugi Predict / Compounds / SCHEMBL6965013

SCHEMBL6965013

SCHEMBL6965013

COc1cc(OC)c2c(COc3cccc4[nH]c(C(=O)NC5CCN(CCN6CC[C@H](O)[C@@H](C)C6)CC5)cc34)coc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAOB P27338 2/20 0.37
▸ POLB P06746 4/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MCHR1 Q99705 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ CTDSP1 Q9GZU7 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
Hydrochloric Acid SCHEMBL914508 0.99 DRD2 (0.38) DRD2DRD3KMT2AMAOBPOLB
SCHEMBL914445 0.94 KMT2A (0.40) DRD2DRD3KMT2AMAOBPOLB
SCHEMBL914118 0.92 DRD2 (0.41) DRD2DRD3KMT2AMAOBPOLB
SCHEMBL6963276 0.91 MAOB (0.43) DRD2DRD3KMT2AMAOBPOLB
SCHEMBL913910 0.91 KMT2A (0.38) DRD2DRD3KMT2AMAOBPOLB
Hydrochloric Acid SCHEMBL914355 0.90 MAOB (0.43) DRD2DRD3KMT2AMAOBPOLB
Hydrochloric Acid SCHEMBL4406781 0.89 MAOB (0.34) DRD2DRD3KMT2AMAOBPOLB
SCHEMBL6963834 0.88 SLC2A1 (0.37) DRD2KMT2AMCHR1KCNH2ALDH1A1
SCHEMBL6963237 0.88 KMT2A (0.40) DRD2DRD3KMT2APOLBUSP2
SCHEMBL914309 0.87 DRD2 (0.38) DRD2DRD3KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 DRD2 928/4885DRD3 1389/4885KMT2A 4109/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DRD2 914/4885DRD3 1369/4885KMT2A 4125/4885

“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.