SCHEMBL3944989

SCHEMBL3944989

O=C(c1cccc2[nH]cnc12)N1CCN(C2CCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CNR2 P34972 1/20 0.52
PARP1 P09874 2/20 0.49
L3MBTL3 Q96JM7 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TP53BP1 Q12888 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21440803 0.81 USP2 (0.49) CHRM2CNR2PARP1SMN1; SMN2
SCHEMBL3947809 0.78 MGLL (0.62) CHRM2CNR2L3MBTL3L3MBTL1TP53BP1
SCHEMBL1806537 0.74 CHRM2 (0.47) CHRM2CNR2PARP1
SCHEMBL3946115 0.74 L3MBTL1 (0.55) PARP1L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL27787042 0.74 KDM4E (0.50) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1
SCHEMBL8445412 0.73 KMT2A (0.69) CHRM2L3MBTL3L3MBTL1TP53BP1KDM4E
SCHEMBL5820226 0.71 HTR3A (0.58) PARP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15880069 0.71 HCRTR2 (0.52) CHRM2CNR2PARP1
SCHEMBL3946070 0.70 KDM4E (0.47) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1
SCHEMBL3947416 0.70 KDM4E (0.47) CNR2L3MBTL3L3MBTL1TP53BP1KDM4E

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-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
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 CHRM2 30/4885CNR2 48/4885PARP1 1953/4885

“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.