SCHEMBL913892

SCHEMBL913892

O=C(NC1CCN(CCN2CCCCCC2)CC1)c1cc2c(-c3ccc(OC(F)(F)F)cc3)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.43
HTR2A P28223 2/20 0.43
DRD2 P14416 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR7 P34969 2/20 0.42
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD3 P35462 1/20 0.41
SSTR5 P35346 1/20 0.40
MCHR1 Q99705 1/20 0.40
HTR1A P08908 1/20 0.40
CCR2 P41597 1/20 0.40
PDGFRB P09619 1/20 0.40
FLT3 P36888 1/20 0.40
ACP1 P24666 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CXCR3 P49682 1/20 0.39
PIM1 P11309 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
SCHEMBL915145 0.89 MTTP (0.44) DRD4HTR2ADRD2HTR7WNT1
SCHEMBL914740 0.89 KDM4E (0.49) DRD4DRD2HTR7DYRK1AKDM4E
SCHEMBL913726 0.87 ALDH1A1 (0.45) DRD2HTR7KDM4EHSD17B10HTR1A
SCHEMBL916260 0.87 ALDH1A1 (0.45) DRD2HTR7KDM4EHSD17B10HTR1A
SCHEMBL4405673 0.87 CHRM3 (0.42) DRD4HTR2ADRD2CHRM3WNT1
SCHEMBL13593441 0.87 KDM4E (0.45) HTR7WNT1DYRK1AKDM4EHSD17B10
SCHEMBL914193 0.87 HTR7 (0.49) DRD4DRD2HTR7WNT1DYRK1A
SCHEMBL914558 0.86 KDM4E (0.45) DRD4HTR7WNT1DYRK1AKDM4E
SCHEMBL914346 0.84 KDM4E (0.45) WNT1DYRK1AKDM4EHSD17B10
SCHEMBL914333 0.84 KDM4E (0.43) CHRM3HTR7WNT1DYRK1AKDM4E

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 10 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
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 1829/4885HTR2A 1347/4885DRD2 928/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 DRD4 1813/4885HTR2A 1370/4885DRD2 914/4885

“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.