SCHEMBL914151

SCHEMBL914151

CC(C)(C)COc1cccc2[nH]c(C(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR4 Q13639 1/20 0.42
PDGFRB P09619 1/20 0.42
FLT3 P36888 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 1/20 0.41
SSTR4 P31391 3/20 0.41
HTR1A P08908 2/20 0.40
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SSTR1 P30872 1/20 0.39
HTR6 P50406 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL913352 0.88 KMT2A (0.56) KMT2AKDM4EHSD17B10HTR4FLT3
SCHEMBL914256 0.88 KMT2A (0.44) HTR7KMT2AKDM4EHSD17B10HTR4
SCHEMBL914473 0.88 KMT2A (0.44) HTR7KMT2AKDM4EHSD17B10HTR4
SCHEMBL916105 0.87 KDM4E (0.45) HTR7KMT2AKDM4EHSD17B10HTR4
SCHEMBL913772 0.86 KDM4E (0.44) HTR7KMT2AKDM4EHSD17B10HTR4
SCHEMBL4405631 0.86 SSTR4 (0.40) HTR7HTR4SSTR4HTR1ASSTR1
SCHEMBL913937 0.86 SRD5A2 (0.56) HTR7KMT2AKDM4EHSD17B10HTR1A
SCHEMBL914678 0.85 KMT2A (0.45) HTR7KMT2AKDM4EHSD17B10HTR4
SCHEMBL12905991 0.84 HTR7 (0.43) HTR7KMT2AKDM4EHSD17B10HTR4
SCHEMBL6962173 0.84 HTR7 (0.47) HTR7KMT2ADRD2DRD3HTR1A

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-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-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 HTR7 1237/4885KMT2A 4109/4885KDM4E 4266/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTR7 1241/4885KMT2A 4125/4885KDM4E 4275/4885

“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.