SCHEMBL6835211

SCHEMBL6835211

Clc1ccc2c(c1)-c1[nH]c(-c3ccccc3)nc1CCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.66
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FTO Q9C0B1 1/20 0.48
MAPK13 O15264 5/20 0.41
MAPK12 P53778 5/20 0.41
MAPK11 Q15759 5/20 0.41
MAPK14 Q16539 5/20 0.41
RAF1 P04049 3/20 0.41
GCGR P47871 2/20 0.40
IDO1 P14902 1/20 0.39
TYMS P04818 2/20 0.38

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
SCHEMBL6835188 0.84 NPY5R (0.61) NPY5RKMT2AMAPK13MAPK12MAPK11
SCHEMBL6836970 0.75 NPY5R (0.64) NPY5RKDM4EALDH1A1MAPK13MAPK12
SCHEMBL6834673 0.73 NPY5R (0.67) NPY5RKDM4EALDH1A1MAPTCYP3A4
SCHEMBL6835195 0.73 NPY5R (0.48) NPY5RKDM4EALDH1A1MAPTCYP3A4
SCHEMBL6835539 0.73 NPY5R (0.67) NPY5RKDM4EKMT2AMAPK13MAPK12
SCHEMBL6836929 0.72 NPY5R (0.69) NPY5RKDM4EALDH1A1MAPTKMT2A
SCHEMBL6835859 0.72 NPY5R (0.69) NPY5RKDM4EALDH1A1MAPTKMT2A
SCHEMBL6831691 0.72 NPY5R (0.66) NPY5RKDM4EMEN1ALDH1A1MAPT
SCHEMBL6835180 0.71 NPY5R (0.69) NPY5RMAPK13MAPK12MAPK11MAPK14
SCHEMBL6834506 0.70 NPY5R (0.48) NPY5RKDM4EMEN1ALDH1A1KMT2A

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-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US claimed
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 NPY5R 983/4885KDM4E 3547/4885MEN1 1176/4885
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 NPY5R 1700/4885KDM4E 3067/4885MEN1 3720/4885

“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.