SCHEMBL914166

SCHEMBL914166

COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DYRK1A Q13627 2/20 0.43
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
MCHR1 Q99705 2/20 0.41
WNT1 P04628 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL914740 0.93 KDM4E (0.49) DRD4DRD2DRD3SMN1; SMN2DYRK1A
SCHEMBL914477 0.91 HTR7 (0.42) DRD2SMN1; SMN2DYRK1AKMT2APOLB
SCHEMBL914281 0.91 DRD4 (0.41) DRD4DRD2DRD3SMN1; SMN2DYRK1A
SCHEMBL6966091 0.91 DRD4 (0.41) DRD4DRD2DRD3SMN1; SMN2DYRK1A
SCHEMBL916108 0.89 TLR9 (0.44) DRD4DRD2DRD3SMN1; SMN2DYRK1A
SCHEMBL914569 0.88 TLR9 (0.44) DYRK1AHTR7HTR1AWNT1SLC2A1
SCHEMBL915626 0.87 SMN1; SMN2 (0.59) DRD4SMN1; SMN2KMT2AACHEMCHR1
SCHEMBL4551165 0.86 SIGMAR1 (0.40) DRD4DRD2DRD3SMN1; SMN2DYRK1A
SCHEMBL913726 0.84 ALDH1A1 (0.45) DRD2SMN1; SMN2KMT2APOLBKDM4E
SCHEMBL916260 0.84 ALDH1A1 (0.45) DRD2SMN1; SMN2KMT2APOLBKDM4E

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