SCHEMBL6833690

SCHEMBL6833690

N#Cc1nc2ccccc2c2c1nc(-c1ccccc1)n2CCC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.39
NPY1R P25929 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
MERTK Q12866 1/20 0.37
PDE6D O43924 1/20 0.37
AVPR2 P30518 3/20 0.36
AVPR1A P37288 3/20 0.36
KDM1A O60341 2/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 2/20 0.36
MAOB P27338 1/20 0.35
ACP1 P24666 3/20 0.35
TLR7 Q9NYK1 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL7489996 0.85 NPY1R (0.40) HTR4NPY1RGABRA1GABRG2GABRB3
SCHEMBL6838078 0.85 MERTK (0.43) HTR4NPY1RGABRA1GABRG2GABRB3
SCHEMBL6928192 0.85 HTR4 (0.42) HTR4NPY1RGABRA1GABRG2GABRB3
SCHEMBL6834046 0.85 PTGER4 (0.36) CTSSCTSKTLR7
SCHEMBL6929281 0.85 NPY1R (0.40) HTR4NPY1RGABRA1GABRG2GABRB3
SCHEMBL6925914 0.85 NPY1R (0.44) HTR4NPY1RGABRA1GABRG2GABRB3
SCHEMBL6838557 0.84 MAOB (0.39) HTR4NPY1RGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL6923145 0.84 NPY1R (0.43) HTR4NPY1RGABRA1GABRG2GABRB3
SCHEMBL6833713 0.83 NPY1R (0.39) HTR4NPY1RGABRA1GABRG2GABRB3
SCHEMBL6838636 0.83 PTGER4 (0.41) HTR4NPY1RGABRA1GABRG2GABRB3

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 HTR4 2764/4885NPY1R 1070/4885GABRA1 728/4885

“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.