SCHEMBL3387977

SCHEMBL3387977

CN1CCCC(n2ccc3cc(C(=O)N4CCN(C(C)(C)C)CC4)ccc32)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
TSHR P16473 1/20 0.42
MGLL Q99685 3/20 0.41
PADI4 Q9UM07 1/20 0.40
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
OXTR P30559 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 1/20 0.38
GHSR Q92847 2/20 0.38

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
SCHEMBL3389895 0.87 HPGD (0.41) HPGDMGLLPADI4L3MBTL3L3MBTL1
SCHEMBL3388530 0.86 HRH3 (0.45) HPGDTSHRMGLLL3MBTL3L3MBTL1
SCHEMBL3390331 0.84 L3MBTL1 (0.55) MGLLL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3388075 0.83 HRH3 (0.44) HPGDTSHRMGLLL3MBTL3L3MBTL1
SCHEMBL3383883 0.82 OXTR (0.42) HPGDTSHRPADI4OXTR
SCHEMBL3390570 0.79 NPC1 (0.51) HPGDTSHRMGLLL3MBTL1MEN1
SCHEMBL3387931 0.75 L3MBTL1 (0.46) HPGDMGLLL3MBTL3L3MBTL1MEN1
SCHEMBL3389792 0.73 L3MBTL3 (0.48) MGLLL3MBTL3L3MBTL1
SCHEMBL3386140 0.73 L3MBTL3 (0.49) HPGDMGLLL3MBTL3L3MBTL1MEN1
SCHEMBL3387674 0.73 L3MBTL1 (0.46) MGLLL3MBTL3L3MBTL1ALDH1A1

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 HPGD 356/4885TSHR 176/4885MGLL 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.