Sugi Predict

Sugi Predict / Compounds / SCHEMBL914530

SCHEMBL914530

SCHEMBL914530

COc1ccc2c(COc3cccc4[nH]c(C(=O)NC5CCN(C[C@H](C)N6CC[C@H](O)[C@@H](C)C6)CC5)cc34)coc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ KCNH2 Q12809 4/20 0.38
▸ MCHR1 Q99705 4/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34

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
SCHEMBL915183 0.93 MCHR1 (0.38) KMT2AKCNH2MCHR1SLC2A1ALDH1A1
SCHEMBL12906112 0.93 MCHR1 (0.38) KMT2AKCNH2MCHR1SLC2A1ALDH1A1
SCHEMBL913910 0.92 KMT2A (0.38) MAOBKMT2AKCNH2MCHR1SLC2A1
SCHEMBL914491 0.92 MAOB (0.43) MAOBKMT2AKCNH2MCHR1SLC2A1
SCHEMBL914986 0.92 KMT2A (0.37) MAOBKMT2AKCNH2MCHR1SLC2A1
SCHEMBL914246 0.91 KMT2A (0.39) KMT2ASLC2A1ALDH1A1ACHEPOLB
SCHEMBL6959937 0.91 KMT2A (0.36) KMT2ASLC2A1ACHEPOLBHTR1A
SCHEMBL4404545 0.90 MAOB (0.39) MAOBKMT2AKCNH2MCHR1SLC2A1
Hydrochloric Acid SCHEMBL914829 0.90 KMT2A (0.36) KMT2ASLC2A1ACHEPOLBHTR1A
SCHEMBL915146 0.90 KMT2A (0.40) KMT2ASLC2A1ACHEPOLB

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 2935/4885KMT2A 4109/4885KCNH2 2612/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MAOB 3073/4885KMT2A 4125/4885KCNH2 2554/4885

“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.