SCHEMBL3537694

SCHEMBL3537694

COC1CCN(C(=O)c2cc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc3[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
HRH4 Q9H3N8 3/20 0.53
L3MBTL3 Q96JM7 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SYK P43405 1/20 0.49
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
AKR1C3 P42330 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PARP1 P09874 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 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
SCHEMBL3542447 0.90 CNR2 (0.58) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL3540762 0.89 L3MBTL3 (0.57) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL3539731 0.89 L3MBTL3 (0.54) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL3536251 0.88 HRH4 (0.58) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL3543515 0.88 HRH4 (0.58) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL3538112 0.86 L3MBTL3 (0.51) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL3539512 0.85 HRH3 (0.64) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL3540768 0.85 PARP1 (0.56) HRH3HRH4L3MBTL3L3MBTL1SYK
SCHEMBL3538988 0.85 L3MBTL1 (0.54) HRH4L3MBTL3L3MBTL1SYKPARP1
SCHEMBL3536473 0.84 HRH4 (0.54) HRH3HRH4L3MBTL3L3MBTL1SYK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 US disclosed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 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 (3 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 HRH3 3527/4885HRH4 3241/4885L3MBTL3 2371/4885
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 HRH3 2/4885HRH4 1/4885L3MBTL3 3467/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HRH4 1/4885L3MBTL3 3467/4885

“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.