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SCHEMBL914581

SCHEMBL914581

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CC[C@H](O)[C@@H](C)C5)CC4)cc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ DYRK1A Q13627 6/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ HTR7 P34969 2/20 0.40
▸ WNT1 P04628 4/20 0.40
▸ CD274 Q9NZQ7 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HPGDS O60760 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37

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
SCHEMBL914569 0.91 TLR9 (0.44) GSK3BTLR9DYRK1ASLC2A1HTR7
SCHEMBL914725 0.89 TLR9 (0.44) GSK3BTLR9DYRK1ASLC2A1HTR7
SCHEMBL914089 0.89 SLC2A1 (0.43) GSK3BTLR9DYRK1ASLC2A1WNT1
SCHEMBL915139 0.88 HTR7 (0.46) GSK3BTLR9DYRK1ASLC2A1HTR7
SCHEMBL4410357 0.88 GSK3B (0.40) GSK3BTLR9DYRK1AHTR7WNT1
SCHEMBL916126 0.86 GSK3B (0.42) GSK3BTLR9DYRK1ASLC2A1HTR7
SCHEMBL6979880 0.81 SLC2A1 (0.39) GSK3BTLR9DYRK1ASLC2A1HTR7
SCHEMBL2762287 0.81 GPR119 (0.51) HPGDSUSP30
SCHEMBL915080 0.81 BRD4 (0.49) DYRK1AWNT1HPGDS
SCHEMBL12432836 0.79 KMT2A (0.37) GSK3BDYRK1ASLC2A1KMT2A

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 GSK3B 3087/4885TLR9 179/4885DYRK1A 2111/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 GSK3B 3089/4885TLR9 176/4885DYRK1A 2157/4885

“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.