Sugi Predict

Sugi Predict / Compounds / SCHEMBL6965506

SCHEMBL6965506

SCHEMBL6965506

C[C@H]1CN([C@@H](C)CN2CCC(NC(=O)c3cc4c(OCc5coc6ccccc56)cccc4[nH]3)CC2)C[C@H](O)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MAOB P27338 4/20 0.34
▸ TLR9 Q9NR96 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ SLC2A1 P11166 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL916203 1.00 KMT2A (0.35) KMT2AMAOBTLR9TLR8TLR7
SCHEMBL914986 0.93 KMT2A (0.37) KMT2AMAOBTLR9TLR8TLR7
SCHEMBL4397029 0.90 DRD2 (0.33) MAOBACHEDRD2DRD3HTR2A
SCHEMBL915891 0.89 KMT2A (0.38) KMT2AMAOBTLR9TLR8TLR7
SCHEMBL914253 0.87 KMT2A (0.36) KMT2ASLC2A1KCNH2MCHR1
SCHEMBL12906112 0.87 MCHR1 (0.38) KMT2ASLC2A1KCNH2MCHR1
SCHEMBL915183 0.87 MCHR1 (0.38) KMT2ASLC2A1KCNH2MCHR1
SCHEMBL914780 0.86 MCHR1 (0.37) KMT2ASLC2A1KCNH2MCHR1
SCHEMBL6960183 0.86 MCHR1 (0.37) KMT2ASLC2A1KCNH2MCHR1
SCHEMBL915527 0.86 MCHR1 (0.37) KMT2ASLC2A1KCNH2MCHR1

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 KMT2A 4109/4885MAOB 2935/4885TLR9 179/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885MAOB 3073/4885TLR9 176/4885

“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.