SCHEMBL3247477

SCHEMBL3247477

Cc1cc2[nH]c(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2cc1OC1CCN(C(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.60
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 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
SCHEMBL3250421 0.90 HRH3 (0.59) HRH3KMT2AMEN1
SCHEMBL3265390 0.90 HRH3 (0.59) HRH3KMT2AMEN1NPC1POLB
SCHEMBL3250635 0.88 HRH3 (0.59) HRH3KMT2AMEN1NPC1POLB
SCHEMBL3243461 0.87 HRH3 (0.58) HRH3KMT2AMEN1
SCHEMBL3254298 0.85 HRH3 (0.54) HRH3KMT2AMEN1NPC1POLB
SCHEMBL3247828 0.84 HRH3 (0.55) HRH3
SCHEMBL3248126 0.83 HRH3 (0.80) HRH3
Hydrochloric Acid SCHEMBL3243371 0.83 HRH3 (0.54) HRH3
SCHEMBL3247912 0.80 HRH3 (0.52) HRH3KMT2AMEN1NPC1RAB9A
SCHEMBL3250540 0.80 HRH3 (0.54) HRH3

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-2118089-B1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
EP-2118089-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
US-7507736-B2 Indol-2-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
WO-2008095821-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 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-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885KMT2A 434/4885MEN1 1330/4885

“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.