SCHEMBL6963834

SCHEMBL6963834

C[C@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6cc(F)cc(F)c56)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
HTR7 P34969 6/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35
KMT2A Q03164 2/20 0.34
KCNH2 Q12809 6/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MCHR1 Q99705 7/20 0.34
ACKR3 P25106 1/20 0.34

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
Hydrochloric Acid SCHEMBL914555 0.99 SLC2A1 (0.37) SLC2A1HTR7HTR1ADRD2HTR6
SCHEMBL12433987 0.93 SLC2A1 (0.34) SLC2A1HTR7HTR1ADRD2HTR6
SCHEMBL14135073 0.93 SLC2A1 (0.34) SLC2A1HTR7HTR1ADRD2HTR6
SCHEMBL2315726 0.93 SLC2A1 (0.34) SLC2A1HTR7HTR1ADRD2HTR6
SCHEMBL6964134 0.91 HTR7 (0.39) HTR7HTR1ADRD2HTR6KCNH2
SCHEMBL6965055 0.91 HTR7 (0.39) SLC2A1HTR7HTR1ADRD2HTR6
Hydrochloric Acid SCHEMBL914237 0.91 HTR7 (0.39) HTR7HTR1ADRD2HTR6KCNH2
Hydrochloric Acid SCHEMBL913258 0.91 HTR7 (0.38) SLC2A1HTR7HTR1ADRD2HTR6
SCHEMBL12971780 0.90 SLC2A1 (0.39) SLC2A1HTR1AKMT2AKCNH2MCHR1
SCHEMBL6963842 0.90 SLC2A1 (0.39) SLC2A1HTR1AKMT2AKCNH2MCHR1

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 SLC2A1 820/4885HTR7 1237/4885HTR1A 1607/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SLC2A1 822/4885HTR7 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.