SCHEMBL6959397

SCHEMBL6959397

O=C(NC1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1)c1cc2c(OCc3coc4cc(F)cc(F)c34)cccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.35
MLLT1 Q03111 1/20 0.35
KMT2A Q03164 2/20 0.34
MCHR1 Q99705 10/20 0.34
KCNH2 Q12809 8/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR7 P34969 2/20 0.33
MEN1 O00255 1/20 0.33
CCR3 P51677 1/20 0.32
MCHR2 Q969V1 2/20 0.32

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 SCHEMBL914261 0.99 SLC2A1 (0.35) SLC2A1MLLT1KMT2AMCHR1KCNH2
SCHEMBL6958912 0.94 KMT2A (0.35) SLC2A1MLLT1KMT2AMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL913609 0.93 KMT2A (0.34) SLC2A1MLLT1KMT2AMCHR1ALDH1A1
SCHEMBL6959072 0.92 MCHR1 (0.37) MLLT1KMT2AMCHR1KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL914747 0.91 MCHR1 (0.36) MLLT1KMT2AMCHR1KCNH2ALDH1A1
SCHEMBL915514 0.90 MLLT1 (0.37) MLLT1KMT2AMCHR1KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL4396994 0.89 SMN1; SMN2 (0.31) MCHR1ALDH1A1
SCHEMBL6964605 0.88 ALDH1A1 (0.37) KMT2AMCHR1ALDH1A1HTR7MEN1
SCHEMBL13593475 0.88 ALDH1A1 (0.37) KMT2AMCHR1ALDH1A1HTR7MEN1
SCHEMBL914437 0.88 KMT2A (0.41) KMT2AALDH1A1

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 8 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
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 820/4885MLLT1 4437/4885KMT2A 4109/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SLC2A1 822/4885MLLT1 4447/4885KMT2A 4125/4885

“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.