SCHEMBL914253

SCHEMBL914253

C[C@H]1CN([C@@H](C)CN2CCC(NC(=O)c3cc4c(OCc5coc6ccc(F)cc56)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.36
MCHR1 Q99705 14/20 0.36
KCNH2 Q12809 12/20 0.36
MCHR2 Q969V1 4/20 0.36
ALDH1A1 P00352 1/20 0.35
SOS1 Q07889 1/20 0.34
HTR7 P34969 1/20 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
SCHEMBL12906112 0.95 MCHR1 (0.38) KMT2ASLC2A1MCHR1KCNH2MCHR2
SCHEMBL915183 0.95 MCHR1 (0.38) KMT2ASLC2A1MCHR1KCNH2MCHR2
SCHEMBL914780 0.95 MCHR1 (0.37) KMT2ASLC2A1MCHR1KCNH2MCHR2
SCHEMBL6960183 0.95 MCHR1 (0.37) KMT2ASLC2A1MCHR1KCNH2MCHR2
SCHEMBL915527 0.95 MCHR1 (0.37) KMT2ASLC2A1MCHR1KCNH2MCHR2
SCHEMBL6964663 0.93 RHEB (0.36) KMT2ASLC2A1MCHR1KCNH2ALDH1A1
SCHEMBL914986 0.93 KMT2A (0.37) KMT2ASLC2A1MCHR1KCNH2
Hydrochloric Acid SCHEMBL914988 0.93 RHEB (0.36) KMT2ASLC2A1MCHR1KCNH2ALDH1A1
SCHEMBL6959937 0.92 KMT2A (0.36) KMT2ASLC2A1WNT1DYRK1A
SCHEMBL6963886 0.92 SLC2A1 (0.38) KMT2ASLC2A1MCHR1KCNH2MCHR2

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 KMT2A 4109/4885SLC2A1 820/4885MCHR1 257/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885SLC2A1 822/4885MCHR1 246/4885

“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.