Sugi Predict

Sugi Predict / Compounds / SCHEMBL6964240

SCHEMBL6964240

SCHEMBL6964240

Cc1cc2occ(COc3cccc4[nH]c(C(=O)NC5CCN(C[C@H](C)N6CCC(O)CC6)CC5)cc34)c2cc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ TLR9 Q9NR96 2/20 0.36
▸ TLR8 Q9NR97 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ HTR1A P08908 4/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 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 SCHEMBL913916 0.99 KMT2A (0.37) KMT2ATLR9TLR8TLR7HTR1A
SCHEMBL915891 0.92 KMT2A (0.38) KMT2ATLR9TLR8TLR7SLC2A1
SCHEMBL6959937 0.92 KMT2A (0.36) KMT2ATLR9TLR8TLR7HTR1A
SCHEMBL6963752 0.91 MCHR1 (0.40) HTR1ASLC2A1
SCHEMBL6963886 0.91 SLC2A1 (0.38) KMT2ATLR9TLR8TLR7HTR1A
Hydrochloric Acid SCHEMBL914829 0.91 KMT2A (0.36) KMT2ATLR9TLR8TLR7HTR1A
SCHEMBL913867 0.91 KMT2A (0.37) KMT2AHTR1AMEN1
Hydrochloric Acid SCHEMBL913670 0.91 SLC2A1 (0.37) KMT2ATLR9TLR8TLR7HTR1A
Hydrochloric Acid SCHEMBL913917 0.91 MCHR1 (0.40) HTR1ASLC2A1
SCHEMBL6963120 0.91 RHEB (0.38) KMT2ATLR9TLR8TLR7HTR1A

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 4109/4885TLR9 179/4885TLR8 521/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885TLR9 176/4885TLR8 526/4885

“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.