SCHEMBL4885646

SCHEMBL4885646

CCCc1c(C2CCC[N]2)cnn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
MAPT P10636 6/20 0.39
MAPK1 P28482 3/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
NR4A3 Q92570 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
MAPK14 Q16539 3/20 0.37

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
SCHEMBL4888870 0.82 MAPT (0.39) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL12203848 0.70 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL5640362 0.69 RAB9A (0.56) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL23399438 0.69 NR4A3 (0.53) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL2123401 0.69 NR4A3 (0.49) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL12385631 0.67 NR4A3 (0.47) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL33204 0.67 NR4A3 (0.47) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL26042 0.67 NR4A3 (0.54) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL2856262 0.67 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL33201 0.66 NR4A3 (0.49) ALDH1A1MAPTMAPK1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885MAPT 3590/4885MAPK1 1878/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885MAPT 3590/4885MAPK1 1878/4885

“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.