SCHEMBL3946115

SCHEMBL3946115

O=C(c1ccc2[nH]cnc2c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.55
▸ L3MBTL3 Q96JM7 3/20 0.55
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.51
▸ PARP1 P09874 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL15163681 0.90 L3MBTL3 (0.49) L3MBTL1L3MBTL3ALDH1A1HPGDKDM4E
SCHEMBL13373550 0.85 HPGD (0.58) L3MBTL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL29565081 0.83 HPGD (0.61) L3MBTL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL1855879 0.83 HPGD (0.61) L3MBTL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL1855882 0.83 HPGD (0.61) L3MBTL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL3153203 0.81 SMN1; SMN2 (0.57) L3MBTL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL1063453 0.81 L3MBTL1 (0.57) L3MBTL1ALDH1A1HPGDKDM4EHTT
SCHEMBL13646643 0.81 SMN1; SMN2 (0.60) L3MBTL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL1063794 0.80 SMN1; SMN2 (0.59) L3MBTL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL424249 0.80 L3MBTL1 (0.54) L3MBTL1L3MBTL3ALDH1A1KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118057-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. Hoffmann-Roche AG (CH) 2009-11-18 — — EP disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
WO-2008095820-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 — — WO disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 — — US disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 — — US disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 — — 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-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES HRH4, HRH3, H1-3 L3MBTL1 2317/4885L3MBTL3 1921/4885ALDH1A1 759/4885

“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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