SCHEMBL6838657

SCHEMBL6838657

FC(F)(F)c1nc2ccccc2c2c1nc(-c1nccs1)n2CCC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.36
HTR4 Q13639 1/20 0.36
MERTK Q12866 1/20 0.34
SLC2A1 P11166 1/20 0.33
SLC2A3 P11169 1/20 0.33
SLC2A4 P14672 1/20 0.33
ACP1 P24666 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
MDM2 Q00987 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ERN1 O75460 1/20 0.31
ADRB2 P07550 1/20 0.31
SLC6A4 P31645 1/20 0.31
KHK P50053 1/20 0.30

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
SCHEMBL6833689 0.89 HCRTR1 (0.31) NPY1RMDM2ADRB2KHK
SCHEMBL6838718 0.89 CCR3 (0.33) NPY1RMDM2
SCHEMBL6924606 0.88 HTR4 (0.39) NPY1RHTR4MERTKACP1TLR7
SCHEMBL6834013 0.88 NPY1R (0.36) NPY1RMDM2CYP1A2ADRB2SLC6A4
SCHEMBL6838673 0.88 NPY1R (0.36) NPY1RMERTKMDM2ERN1
SCHEMBL6927043 0.88 NPY1R (0.41) NPY1RHTR4MERTKACP1
SCHEMBL6833988 0.86 HTR4 (0.36) NPY1RHTR4MERTKACP1TLR7
SCHEMBL6840109 0.86 KDM4E (0.38) NPY1RHTR4ACP1TLR7CYP1A2
SCHEMBL6833713 0.85 NPY1R (0.39) NPY1RHTR4MERTKACP1TLR7
SCHEMBL6840099 0.83 NPY1R (0.37) NPY1RHTR4MERTKACP1TLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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 (1 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 NPY1R 1070/4885HTR4 2764/4885MERTK 2059/4885

“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.