SCHEMBL6963886

SCHEMBL6963886

C[C@@H](CN1CCC(NC(=O)c2cc3c(OCc4coc5ccc(F)cc45)cccc3[nH]2)CC1)N1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
MCHR1 Q99705 12/20 0.38
KCNH2 Q12809 10/20 0.38
MCHR2 Q969V1 4/20 0.38
SOS1 Q07889 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 2/20 0.36
HTR7 P34969 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
Hydrochloric Acid SCHEMBL913670 0.99 SLC2A1 (0.37) SLC2A1MCHR1KCNH2MCHR2SOS1
SCHEMBL6963752 0.95 MCHR1 (0.40) SLC2A1MCHR1KCNH2MCHR2ALDH1A1
Hydrochloric Acid SCHEMBL913917 0.94 MCHR1 (0.40) SLC2A1MCHR1KCNH2MCHR2ALDH1A1
SCHEMBL915527 0.93 MCHR1 (0.37) SLC2A1MCHR1KCNH2MCHR2SOS1
SCHEMBL914780 0.93 MCHR1 (0.37) SLC2A1MCHR1KCNH2MCHR2SOS1
SCHEMBL6960183 0.93 MCHR1 (0.37) SLC2A1MCHR1KCNH2MCHR2SOS1
SCHEMBL6963420 0.93 RHEB (0.38) MCHR1KCNH2SOS1ALDH1A1KMT2A
SCHEMBL915891 0.93 KMT2A (0.38) SLC2A1MCHR1KCNH2KMT2ATLR9
Hydrochloric Acid SCHEMBL916205 0.92 RHEB (0.38) MCHR1KCNH2SOS1ALDH1A1KMT2A
SCHEMBL914253 0.92 KMT2A (0.36) SLC2A1MCHR1KCNH2MCHR2SOS1

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.