SCHEMBL6959072

SCHEMBL6959072

O=C(NC1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1)c1cc2c(OCc3coc4cc(F)ccc34)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.37
KCNH2 Q12809 8/20 0.37
MLLT1 Q03111 1/20 0.37
MCHR2 Q969V1 3/20 0.35
HTR7 P34969 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 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 SCHEMBL914747 0.99 MCHR1 (0.36) MCHR1KCNH2MLLT1MCHR2HTR7
SCHEMBL915514 0.95 MLLT1 (0.37) MCHR1KCNH2MLLT1MCHR2HTR7
SCHEMBL6962916 0.93 ALDH1A1 (0.40) MCHR1KCNH2HTR7KMT2AALDH1A1
SCHEMBL6962655 0.93 MAOB (0.37) KMT2AALDH1A1
SCHEMBL13593469 0.93 MAOB (0.37) KMT2AALDH1A1
Hydrochloric Acid SCHEMBL915729 0.92 ALDH1A1 (0.39) MCHR1KCNH2HTR7KMT2AALDH1A1
Hydrochloric Acid SCHEMBL914376 0.92 MAOB (0.36) KMT2AALDH1A1
SCHEMBL6959397 0.92 SLC2A1 (0.35) MCHR1KCNH2MLLT1MCHR2HTR7
SCHEMBL913973 0.92 MAOB (0.43) MCHR1KCNH2KMT2AALDH1A1
SCHEMBL13593470 0.92 MAOB (0.43) MCHR1KCNH2KMT2AALDH1A1

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 MCHR1 257/4885KCNH2 2612/4885MLLT1 4437/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MCHR1 246/4885KCNH2 2554/4885MLLT1 4447/4885

“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.