SCHEMBL915016

SCHEMBL915016

COc1ccc2occ(COc3cccc4[nH]c(C(=O)NC5CCN(CCN6CCC(O)CC6)CC5)cc34)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
MAOA P21397 1/20 0.41
ACHE P22303 2/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
SIGMAR1 Q99720 3/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
SLC2A1 P11166 1/20 0.39
NQO2 P16083 1/20 0.38

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
SCHEMBL914531 0.94 MAOB (0.47) MAOBDRD2DRD3MAOAACHE
SCHEMBL914272 0.94 MAOB (0.47) MAOBDRD2DRD3ACHEKDM4E
SCHEMBL6963824 0.91 HTR7 (0.42) MAOBDRD2DRD3MAOAALDH1A1
SCHEMBL914187 0.90 RHEB (0.42) MAOBDRD2DRD3MAOAKDM4E
Hydrochloric Acid SCHEMBL913922 0.90 HTR7 (0.41) MAOBDRD2DRD3MAOAALDH1A1
SCHEMBL913971 0.90 ADRA2A (0.41) MAOBDRD2DRD3MAOA
SCHEMBL913867 0.89 KMT2A (0.37) MAOBDRD2DRD3MAOAALDH1A1
SCHEMBL914118 0.89 DRD2 (0.41) MAOBDRD2DRD3ALDH1A1KMT2A
SCHEMBL4409300 0.89 MAOB (0.44) MAOBDRD2DRD3MAOAACHE
SCHEMBL915839 0.89 MAOB (0.47) MAOBDRD2DRD3ACHEKDM4E

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 10 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
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 MAOB 2935/4885DRD2 928/4885DRD3 1389/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MAOB 3073/4885DRD2 914/4885DRD3 1369/4885

“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.