Sugi Predict

Sugi Predict / Compounds / SCHEMBL914932

SCHEMBL914932

SCHEMBL914932

Cc1ccc(Oc2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ DRD4 P21917 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL914958 0.93 PDGFRB (0.45) DRD2DRD3DRD4KMT2AGAA
SCHEMBL914690 0.92 DRD4 (0.42) DRD2DRD3DRD4KMT2ALMNA
SCHEMBL913695 0.92 HTR7 (0.44) DRD2DRD3KMT2AADRA2AADRA2B
SCHEMBL915248 0.92 KMT2A (0.42) DRD2DRD3DRD4KMT2AGAA
SCHEMBL914806 0.88 HTR7 (0.44) DRD2KMT2AADRA2AADRA2BADRA2C
SCHEMBL914807 0.87 HTR7 (0.49) DRD2LMNAHTR7HTR1AHTR6
SCHEMBL4400741 0.86 L3MBTL1 (0.39) DRD2DRD3
SCHEMBL913676 0.85 CCR8 (0.45) DRD2DRD3DRD4KMT2ANPC1
SCHEMBL914689 0.85 HTR7 (0.44) DRD2DRD3KMT2AHTR7HTR1A
SCHEMBL914132 0.85 KDM4E (0.47) DRD4KMT2AADRA2AADRA2BADRA2C

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 DRD2 928/4885DRD3 1389/4885DRD4 1829/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DRD2 914/4885DRD3 1369/4885DRD4 1813/4885

“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.