SCHEMBL6965058

SCHEMBL6965058

C[C@@H](CN1CCC(NC(=O)c2cc3c(OCc4coc5cc(F)cc(F)c45)cccc3[nH]2)CC1)N1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
MCHR1 Q99705 13/20 0.37
KCNH2 Q12809 11/20 0.37
HTR1A P08908 2/20 0.37
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MCHR2 Q969V1 3/20 0.34
WNT1 P04628 1/20 0.34
DYRK1A Q13627 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 SCHEMBL914319 0.99 SLC2A1 (0.40) SLC2A1MCHR1KCNH2HTR1AKMT2A
SCHEMBL12971780 0.92 SLC2A1 (0.39) SLC2A1MCHR1KCNH2HTR1AKMT2A
SCHEMBL6963842 0.92 SLC2A1 (0.39) SLC2A1MCHR1KCNH2HTR1AKMT2A
SCHEMBL6963752 0.92 MCHR1 (0.40) SLC2A1MCHR1KCNH2HTR1AALDH1A1
Hydrochloric Acid SCHEMBL914743 0.91 SLC2A1 (0.38) SLC2A1MCHR1KCNH2HTR1AKMT2A
Hydrochloric Acid SCHEMBL913917 0.91 MCHR1 (0.40) SLC2A1MCHR1KCNH2HTR1AALDH1A1
SCHEMBL6965055 0.91 HTR7 (0.39) SLC2A1MCHR1KCNH2HTR1AKMT2A
SCHEMBL6963886 0.90 SLC2A1 (0.38) SLC2A1MCHR1KCNH2HTR1AKMT2A
Hydrochloric Acid SCHEMBL913258 0.90 HTR7 (0.38) SLC2A1MCHR1KCNH2HTR1AKMT2A
Hydrochloric Acid SCHEMBL913670 0.90 SLC2A1 (0.37) SLC2A1MCHR1KCNH2HTR1AKMT2A

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 820/4885MCHR1 257/4885KCNH2 2612/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SLC2A1 822/4885MCHR1 246/4885KCNH2 2554/4885

“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.