SCHEMBL3260438

SCHEMBL3260438

NC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.76
HRH3 Q9Y5N1 1/20 0.66
AKR1C3 P42330 8/20 0.58
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
RBP4 P02753 1/20 0.49
PDE4B Q07343 1/20 0.47

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
SCHEMBL604296 0.86 HRH4 (1.00) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL6153659 0.85 HRH4 (0.76) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL29743974 0.81 AKR1C3 (0.67) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL20267078 0.81 AKR1C3 (0.67) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL2679610 0.80 HRH4 (1.00) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL29699763 0.80 HRH4 (1.00) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL7710603 0.77 AKR1C3 (0.69) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL2350768 0.77 HRH4 (0.78) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL26490547 0.76 HRH4 (0.70) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL2345954 0.76 HRH4 (0.76) HRH4HRH3AKR1C3POLBSMN1; SMN2

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
US-7648979-B2 5-amido-(1H-indol-2-yl)-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-19 US disclosed
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 HRH4 1/4885HRH3 2/4885AKR1C3 342/4885

“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.