SCHEMBL2661716

SCHEMBL2661716

Cn1nnnc1CN1CCN(c2cccc(N)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ ADRA2C P18825 1/20 0.52
▸ IDE P14735 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GFER P55789 1/20 0.50
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ GRM2 Q14416 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ DHFR P00374 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
SCHEMBL2661482 0.81 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AIDEL3MBTL1
SCHEMBL12997554 0.73 NPSR1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL1126080 0.73 GAA (0.66) ALDH1A1ADRA2CGFERSMN1; SMN2GAA
SCHEMBL30647354 0.73 GAA (0.66) ALDH1A1ADRA2CGFERSMN1; SMN2GAA
SCHEMBL2663596 0.72 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AIDEL3MBTL1
SCHEMBL2660374 0.72 DRD4 (0.72) ALDH1A1ADRA2CTSHRKDM4EHTR1A
SCHEMBL16827734 0.72 DRD2 (0.78) ADRA2CL3MBTL1DRD2
SCHEMBL6942579 0.72 ADRA2C (0.80) ALDH1A1MEN1KMT2AADRA2CL3MBTL1
SCHEMBL28651152 0.71 DRD2 (0.66) ADRA2CKCNH2DRD2
SCHEMBL448110 0.70 ADRA2C (1.00) ALDH1A1MEN1KMT2AADRA2CGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 — — EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 — — US disclosed
CN-1167686-C Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds О 2004-09-22 — — CN disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 — — US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 — — US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 — — US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 — — CN disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 — — EP 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 (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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 977/4885MEN1 4632/4885KMT2A 1116/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 1345/4885MEN1 4691/4885KMT2A 1597/4885

“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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