SCHEMBL6963729

SCHEMBL6963729

CC(C)COc1cccc2[nH]c(C(=O)NC3CCN(CC4CCCN(C)C4)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
PARP1 P09874 3/20 0.40
PARP2 Q9UGN5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
IDH1 O75874 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HTR4 Q13639 1/20 0.37
SLC2A1 P11166 1/20 0.37
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 1/20 0.37
RCE1 Q9Y256 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
SCHEMBL4401971 0.87 LMNA (0.37) PARP1PARP2KDM4ELMNAIDH1
SCHEMBL914473 0.87 KMT2A (0.44) KMT2APARP1KDM4EALDH1A1CYP1A2
SCHEMBL914256 0.87 KMT2A (0.44) KMT2APARP1KDM4EALDH1A1CYP1A2
SCHEMBL914823 0.86 PARP1 (0.43) KMT2APARP1KDM4EALDH1A1CYP1A2
SCHEMBL914634 0.85 KMT2A (0.42) KMT2APARP1KDM4EALDH1A1CYP1A2
SCHEMBL913786 0.85 KMT2A (0.42) KMT2APARP1KDM4EALDH1A1CYP1A2
SCHEMBL913976 0.85 KMT2A (0.44) KMT2APARP1KDM4EALDH1A1CYP1A2
SCHEMBL914372 0.85 PARP1 (0.43) KMT2APARP1KDM4EALDH1A1CYP1A2
SCHEMBL914311 0.85 PARP1 (0.43) KMT2APARP1KDM4EALDH1A1CYP1A2
SCHEMBL916113 0.85 KMT2A (0.42) KMT2APARP1KDM4EALDH1A1CYP1A2

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 KMT2A 4109/4885PARP1 2933/4885PARP2 3792/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885PARP1 3011/4885PARP2 3880/4885

“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.