SCHEMBL915081

SCHEMBL915081

COc1ccc(-c2cccc3[nH]c(C(=O)NN4CCCCC4)cc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
HPGD P15428 1/20 0.39
PIK3CA P42336 1/20 0.39
KMT2A Q03164 2/20 0.39
CHEK1 O14757 1/20 0.38
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38
WNT1 P04628 2/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
DYRK1A Q13627 2/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
MEN1 O00255 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CNR2 P34972 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL915391 0.86 CNR1 (0.47) CNR1
SCHEMBL914725 0.82 TLR9 (0.44) KMT2ATGFBR1WNT1DYRK1ACNR2
SCHEMBL915089 0.82 POLB (0.46) CNR1HPGDKMT2AMEN1
SCHEMBL2761944 0.80 TDO2 (0.50) HPGDKMT2ATGFBR1TGFBR2PRKAG1
SCHEMBL915080 0.78 BRD4 (0.49) CHEK1WNT1DYRK1A
SCHEMBL915139 0.77 HTR7 (0.46) WNT1DYRK1A
SCHEMBL914569 0.76 TLR9 (0.44) WNT1DYRK1A
SCHEMBL2762287 0.76 GPR119 (0.51) PIK3CA
SCHEMBL914581 0.73 GSK3B (0.42) KMT2AWNT1DYRK1A
SCHEMBL916126 0.72 GSK3B (0.42) PIK3CAKMT2AWNT1DYRK1A

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 7 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-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
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
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO 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 CNR1 134/4885HPGD 716/4885PIK3CA 3330/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 CNR1 134/4885HPGD 770/4885PIK3CA 3326/4885

“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.