SCHEMBL3174359

SCHEMBL3174359

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(C(=O)O)CC2)n3-c2ccnc(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.43
CHRNA7 P36544 2/20 0.41
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
CDK6 Q00534 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 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
SCHEMBL3167033 0.92 HRH3 (0.43) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3173471 0.91 HRH3 (0.42) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3539521 0.90 HRH3 (0.42) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3174819 0.90 HRH3 (0.42) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3537168 0.90 HRH3 (0.55) HRH3CHRNA7CCNT1CDK9CDK6
SCHEMBL3160492 0.90 CHRNA7 (0.46) HRH3CHRNA7
SCHEMBL3160029 0.90 HRH3 (0.45) HRH3CHRNA7CCNT1CDK9
SCHEMBL3165604 0.89 RAB9A (0.49) HRH3MEN1KMT2A
SCHEMBL3174684 0.89 HRH3 (0.41) HRH3CHRNA7CCNT1CDK9CDK1
SCHEMBL3543473 0.88 HRH3 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648979-B2 5-amido-(1H-indol-2-yl)-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-19 US disclosed
EP-2118059-A1 5 -AMIDO- (IH- INDOL- 2 -YL) PIPERAZIN-1-YL-METHANONE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008095823-A1 5 -AMIDO- (IH- INDOL- 2 -YL) PIPERAZIN-1-YL-METHANONE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188487-A1 5-AMIDO-(1H-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-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885CHRNA7 129/4885CCNT1 1197/4885

“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.