SCHEMBL4929684

SCHEMBL4929684

CC(c1nc2ccccc2[nH]1)N1CC[CH]CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.49
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
MLKL Q8NB16 3/20 0.47
KMT2A Q03164 1/20 0.43
ALOX12 P18054 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLK7 P49862 1/20 0.42
OGA O60502 1/20 0.42
ALPL P05186 1/20 0.42
MAPK1 P28482 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL28722124 0.88 MAPT (0.52) MAPTPOLBIDO1ALDH1A1TAAR1
SCHEMBL4933877 0.87 BCHE (0.53) MAPTPOLBIDO1ALDH1A1TAAR1
SCHEMBL4155864 0.75 MAPT (0.46) MAPTPOLBIDO1ALDH1A1TAAR1
SCHEMBL4148419 0.74 OPRM1 (0.50) MAPTPOLBIDO1ALDH1A1MLKL
SCHEMBL4150713 0.74 OPRL1 (0.50) MAPTPOLBIDO1ALDH1A1TAAR1
SCHEMBL30665026 0.73 ALDH1A1 (0.66) POLBIDO1ALDH1A1TAAR1MLKL
SCHEMBL2147079 0.73 ALDH1A1 (0.66) POLBIDO1ALDH1A1TAAR1MLKL
SCHEMBL85832 0.73 ALDH1A1 (0.66) POLBIDO1ALDH1A1TAAR1MLKL
SCHEMBL5321876 0.73 TAAR1 (0.48) MAPTPOLBIDO1ALDH1A1TAAR1
SCHEMBL5329879 0.73 IDO1 (0.46) MAPTPOLBIDO1ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 MAPT 2472/4885POLB 2835/4885IDO1 2062/4885

“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.