Sugi Predict

Sugi Predict / Compounds / SCHEMBL915392

SCHEMBL915392

SCHEMBL915392

C[C@H]1CN([C@@H](C)CN2CCC(NC(=O)c3cc4c(OCc5ccoc5)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ SRD5A2 P31213 1/20 0.36
▸ SLC2A1 P11166 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HTR1A P08908 3/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ RHEB Q15382 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ WNT1 P04628 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
SCHEMBL913688 1.00 KMT2A (0.40) KMT2ASRD5A2SLC2A1NPC1POLB
SCHEMBL914713 0.91 KMT2A (0.41) KMT2ASRD5A2SLC2A1NPC1POLB
SCHEMBL4398622 0.89 KMT2A (0.32) KMT2ASRD5A2SLC2A1MEN1DYRK1A
SCHEMBL4399335 0.89 KMT2A (0.32) KMT2ASRD5A2SLC2A1MEN1DYRK1A
SCHEMBL915417 0.89 KMT2A (0.43) KMT2ASRD5A2SLC2A1NPC1POLB
SCHEMBL914612 0.89 KMT2A (0.43) KMT2ASRD5A2SLC2A1NPC1POLB
SCHEMBL914571 0.89 KMT2A (0.40) KMT2ASRD5A2NPC1POLBRAB9A
SCHEMBL914315 0.87 KMT2A (0.42) KMT2ASLC2A1NPC1POLBRAB9A
SCHEMBL914986 0.86 KMT2A (0.37) KMT2ASLC2A1NPC1POLBRAB9A
SCHEMBL915146 0.86 KMT2A (0.40) KMT2ASLC2A1NPC1POLBRAB9A

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 KMT2A 4109/4885SRD5A2 849/4885SLC2A1 820/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885SRD5A2 869/4885SLC2A1 822/4885

“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.