SCHEMBL3388075

SCHEMBL3388075

CC(C)N1CCC(n2ccc3cc(C(=O)N4CCN(C(C)(C)C)CC4)ccc32)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
P2RX7 Q99572 1/20 0.39
MGLL Q99685 4/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OXTR P30559 1/20 0.38
CHRNA7 P36544 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 3/20 0.37
TSHR P16473 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL3385812 0.91 HRH3 (0.48) HRH3MGLLL3MBTL3L3MBTL1OXTR
SCHEMBL3383954 0.86 L3MBTL1 (0.49) HRH3MGLLL3MBTL3L3MBTL1
SCHEMBL3389792 0.86 L3MBTL3 (0.48) HRH3MGLLL3MBTL3L3MBTL1
SCHEMBL3387977 0.83 HPGD (0.42) P2RX7MGLLL3MBTL3L3MBTL1OXTR
SCHEMBL3388049 0.81 HRH3 (0.43) HRH3P2RX7MGLLL3MBTL3L3MBTL1
SCHEMBL3388043 0.81 HRH3 (0.43) HRH3P2RX7MGLLL3MBTL3L3MBTL1
SCHEMBL3389895 0.81 HPGD (0.41) HRH3P2RX7MGLLL3MBTL3L3MBTL1
SCHEMBL3390570 0.81 NPC1 (0.51) MGLLL3MBTL1NPC1HPGDTSHR
SCHEMBL3386037 0.80 HRH3 (0.47) HRH3CHRNA7
SCHEMBL3385995 0.80 L3MBTL3 (0.46) HRH3MGLLL3MBTL3L3MBTL1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029534-B1 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
EP-2029534-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US disclosed
WO-2007131907-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-22 WO disclosed
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HOFFMANN-LA ROCHE INC. 2007-11-22 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-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HRH4, HRH2, HRH3 HRH3 3/4885P2RX7 254/4885MGLL 3207/4885

“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.