SCHEMBL915183

SCHEMBL915183

C[C@H]1CN([C@@H](C)CN2CCC(NC(=O)c3cc4c(OCc5coc6cc(F)ccc56)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.38
KCNH2 Q12809 14/20 0.38
MCHR2 Q969V1 4/20 0.37
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL12906112 1.00 MCHR1 (0.38) MCHR1KCNH2MCHR2KMT2ASLC2A1
SCHEMBL914253 0.95 KMT2A (0.36) MCHR1KCNH2MCHR2KMT2ASLC2A1
SCHEMBL914986 0.93 KMT2A (0.37) MCHR1KCNH2KMT2ASLC2A1
SCHEMBL914530 0.93 MAOB (0.41) MCHR1KCNH2KMT2ASLC2A1ALDH1A1
SCHEMBL12971780 0.92 SLC2A1 (0.39) MCHR1KCNH2MCHR2KMT2ASLC2A1
SCHEMBL6963842 0.92 SLC2A1 (0.39) MCHR1KCNH2MCHR2KMT2ASLC2A1
SCHEMBL6959937 0.92 KMT2A (0.36) KMT2ASLC2A1
SCHEMBL6963752 0.92 MCHR1 (0.40) MCHR1KCNH2MCHR2SLC2A1CYP3A4
Hydrochloric Acid SCHEMBL914743 0.92 SLC2A1 (0.38) MCHR1KCNH2MCHR2KMT2ASLC2A1
Hydrochloric Acid SCHEMBL914829 0.91 KMT2A (0.36) KMT2ASLC2A1

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 MCHR1 257/4885KCNH2 2612/4885MCHR2 414/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MCHR1 246/4885KCNH2 2554/4885MCHR2 392/4885

“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.