Sugi Predict

Sugi Predict / Compounds / SCHEMBL914713

SCHEMBL914713

SCHEMBL914713

C[C@@H](CN1CCC(NC(=O)c2cc3c(OCc4ccoc4)cccc3[nH]2)CC1)N1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ SRD5A2 P31213 1/20 0.38
▸ TLR9 Q9NR96 2/20 0.38
▸ TLR8 Q9NR97 2/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ SLC2A1 P11166 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.35
▸ RHEB Q15382 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL914612 0.93 KMT2A (0.43) KMT2ASRD5A2TLR9TLR8TLR7
SCHEMBL915417 0.93 KMT2A (0.43) KMT2ASRD5A2TLR9TLR8TLR7
SCHEMBL913688 0.91 KMT2A (0.40) KMT2ASRD5A2TLR9TLR8TLR7
SCHEMBL915392 0.91 KMT2A (0.40) KMT2ASRD5A2TLR9TLR8TLR7
SCHEMBL914670 0.89 SRD5A2 (0.43) KMT2ASRD5A2NPC1POLBRAB9A
SCHEMBL4411341 0.89 HTR1A (0.34) KMT2ASRD5A2TLR9TLR8TLR7
SCHEMBL914856 0.86 KMT2A (0.43) KMT2ATLR9TLR8TLR7SLC2A1
SCHEMBL913866 0.86 KMT2A (0.42) KMT2ATLR9TLR8TLR7SLC2A1
SCHEMBL915891 0.85 KMT2A (0.38) KMT2ASRD5A2TLR9TLR8TLR7
SCHEMBL6963270 0.84 KMT2A (0.40) KMT2ATLR9TLR8TLR7SLC2A1

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 849/4885TLR9 179/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885SRD5A2 869/4885TLR9 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.