SCHEMBL12677805

SCHEMBL12677805

CCCc1cc2ccc(OC)cc2nc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ GFER P55789 1/20 0.54
▸ KDM4E B2RXH2 6/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HPGDS O60760 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ NCF1 P14598 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL1574405 0.86 KDM4E (0.58) ALDH1A1GFERKDM4EL3MBTL1TDP1
SCHEMBL17903203 0.84 ALDH1A1 (0.50) ALDH1A1GFERKDM4EL3MBTL1HPGDS
SCHEMBL1574696 0.83 KDM4E (0.70) ALDH1A1GFERKDM4EL3MBTL1TDP1
SCHEMBL1574753 0.83 ALDH1A1 (0.72) ALDH1A1GFERKDM4EL3MBTL1TDP1
SCHEMBL1574354 0.79 ALDH1A1 (0.46) ALDH1A1GFERKDM4EL3MBTL1MAPK1
SCHEMBL12677808 0.79 ALDH1A1 (0.51) ALDH1A1GFERKDM4EL3MBTL1TDP1
SCHEMBL1574547 0.79 ALDH1A1 (0.51) ALDH1A1GFERKDM4EL3MBTL1TDP1
SCHEMBL1574486 0.78 HSD17B10 (0.54) ALDH1A1GFERKDM4EL3MBTL1MAPK1
SCHEMBL29750685 0.78 HSD17B10 (0.54) ALDH1A1GFERKDM4EL3MBTL1MAPK1
SCHEMBL12827022 0.76 ALDH1A1 (0.50) ALDH1A1GFERKDM4EL3MBTL1TDP1

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-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 — — US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 — — 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 (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-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 ALDH1A1 1183/4885GFER 1630/4885KDM4E 3344/4885

“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.

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