SCHEMBL3390069

SCHEMBL3390069

CC(C)N1CCN(C(=O)c2ccc3c(ccn3CC3CCCN(Cc4ccccc4)C3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
ACHE P22303 1/20 0.48
BCHE P06276 2/20 0.47
NPC1 O15118 1/20 0.46
CCR2 P41597 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPK14 Q16539 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OXTR P30559 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL3387874 0.89 HRH3 (0.44) HRH3CCR2KCNH2OXTR
SCHEMBL3388056 0.87 ACHE (0.51) HRH3ACHEBCHENPC1CCR2
SCHEMBL3383846 0.87 KDM4E (0.49) HRH3ACHEBCHENPC1CCR2
SCHEMBL3388747 0.87 HRH3 (0.43) HRH3OXTR
SCHEMBL3388925 0.86 HRH3 (0.45) HRH3KDM4EOXTR
SCHEMBL3387634 0.86 HRH3 (0.44) HRH3OXTR
SCHEMBL3390735 0.85 KDM2B (0.45) HRH3OXTR
SCHEMBL3387892 0.85 OXTR (0.47) HRH3ACHENPC1KCNH2KDM4E
SCHEMBL3386122 0.85 HRH3 (0.52) HRH3BCHENPC1KDM4EMAPK14
SCHEMBL3944012 0.85 HRH3 (0.47) HRH3ACHEOXTR

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 6 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
CN-101443311-A 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN LA ROCHE (CH) 2009-05-27 CN 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 3/4885ACHE 815/4885BCHE 1761/4885

“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.