SCHEMBL915145

SCHEMBL915145

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
MTR Q99707 1/20 0.44
DRD4 P21917 8/20 0.44
SLC6A5 Q9Y345 3/20 0.43
DRD2 P14416 2/20 0.43
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL13593441 0.89 KDM4E (0.45) ADRA2AADRA1AKCNH2WNT1DYRK1A
SCHEMBL914193 0.89 HTR7 (0.49) ADRA2ASLC6A2ADRA1ADRD4DRD2
SCHEMBL913892 0.89 DRD4 (0.43) CHRM2CHRM1DRD3DRD4DRD2
SCHEMBL914346 0.88 KDM4E (0.45) WNT1DYRK1AKDM4EHSD17B10
SCHEMBL914558 0.88 KDM4E (0.45) DRD4WNT1DYRK1AKDM4EHSD17B10
SCHEMBL914740 0.86 KDM4E (0.49) DRD3DRD4DRD2DYRK1AKDM4E
SCHEMBL914333 0.86 KDM4E (0.43) WNT1DYRK1AKDM4EHSD17B10HTR7
SCHEMBL4406835 0.85 CHRM3 (0.40) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL913726 0.84 ALDH1A1 (0.45) DRD2KDM4EHSD17B10HTR7
SCHEMBL916260 0.84 ALDH1A1 (0.45) DRD2KDM4EHSD17B10HTR7

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 MTTP 2016/4885CHRM2 672/4885ADRA2A 302/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MTTP 2086/4885CHRM2 640/4885ADRA2A 302/4885

“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.