SCHEMBL2663596

SCHEMBL2663596

CN1CCN(Cc2nnnn2C)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.63
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ IDE P14735 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ PRMT1 Q99873 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15219424 0.85 ALDH1A1 (0.56) ALDH1A1MAPTTP53IDEMEN1
SCHEMBL2653202 0.83 ALDH1A1 (0.45) ALDH1A1MAPTTP53IDENPSR1
SCHEMBL9932677 0.81 ALDH1A1 (0.44) ALDH1A1MAPTTP53IDEMEN1
SCHEMBL2661716 0.72 ALDH1A1 (0.58) ALDH1A1IDENPSR1GAAMEN1
SCHEMBL324385 0.72 ALDH1A1 (0.72) ALDH1A1MAPTNPSR1GAAMEN1
SCHEMBL11919084 0.67 ALDH1A1 (0.53) ALDH1A1MAPTTP53IDENPSR1
SCHEMBL2869460 0.66 — —
SCHEMBL2933578 0.66 — —
SCHEMBL10616300 0.66 — —
SCHEMBL1107488 0.66 — —

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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 — — US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 — — US disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 — — WO 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 977/4885MAPT 906/4885TP53 4835/4885

“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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