SCHEMBL6966091

SCHEMBL6966091

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5C6CCC5CC(O)C6)CC4)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.41
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
ACHE P22303 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 1/20 0.39
POLB P06746 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC2A1 P11166 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
SCHEMBL914281 1.00 DRD4 (0.41) DRD4PLD2PLD1DRD2DRD3
SCHEMBL914166 0.91 DRD4 (0.44) DRD4DRD2DRD3ACHESMN1; SMN2
SCHEMBL916126 0.89 GSK3B (0.42) KMT2ADYRK1ASLC2A1
SCHEMBL914740 0.88 KDM4E (0.49) DRD4DRD2DRD3ACHESMN1; SMN2
SCHEMBL4398653 0.88 MCHR1 (0.37) DRD4PLD2PLD1SMN1; SMN2KMT2A
SCHEMBL914477 0.83 HTR7 (0.42) DRD2SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL6966095 0.83 HRH4 (0.43) PLD2DRD2KDM4EALDH1A1KMT2A
SCHEMBL914210 0.83 HRH4 (0.43) PLD2DRD2KDM4EALDH1A1KMT2A
SCHEMBL915626 0.82 SMN1; SMN2 (0.59) DRD4ACHESMN1; SMN2KMT2AMAOA
SCHEMBL916108 0.81 TLR9 (0.44) DRD4DRD2DRD3ACHESMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 DRD4 1829/4885PLD2 2220/4885PLD1 2640/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DRD4 1813/4885PLD2 2249/4885PLD1 2671/4885

“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.