SCHEMBL914968

SCHEMBL914968

O=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCc3coc4cc(Cl)ccc34)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.42
HTR7 P34969 3/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38
BDKRB1 P46663 1/20 0.37
MAOB P27338 3/20 0.36
SMYD3 Q9H7B4 1/20 0.36
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
SOS1 Q07889 1/20 0.36
MAOA P21397 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NUDT1 P36639 1/20 0.36

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
SCHEMBL914187 0.94 RHEB (0.42) RHEBHTR7HTR1ADRD2HTR2A
SCHEMBL6964133 0.92 HTR7 (0.42) HTR7HTR1ADRD2HTR2AMCHR1
Hydrochloric Acid SCHEMBL914567 0.91 HTR7 (0.41) HTR7HTR1ADRD2HTR2AMCHR1
SCHEMBL913979 0.91 RHEB (0.39) RHEBHTR7HTR1ADRD2HTR2A
SCHEMBL913971 0.91 ADRA2A (0.41) HTR7HTR1ADRD2HTR2ADRD3
SCHEMBL6963120 0.90 RHEB (0.38) RHEBHTR7HTR1ABDKRB1MAOB
SCHEMBL914272 0.90 MAOB (0.47) DRD2DRD3MAOBMCHR1KCNH2
Hydrochloric Acid SCHEMBL915070 0.90 RHEB (0.38) RHEBHTR7HTR1ABDKRB1MAOB
SCHEMBL913867 0.89 KMT2A (0.37) HTR7HTR1ADRD2DRD3MAOB
SCHEMBL4405941 0.88 HTR1A (0.36) HTR7HTR1ADRD2HTR2ADRD3

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 RHEB 3019/4885HTR7 1237/4885HTR1A 1607/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 RHEB 3020/4885HTR7 1241/4885HTR1A 1607/4885

“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.