SCHEMBL3254758

SCHEMBL3254758

c1cc2ccc(N3CCNCC3)nc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.54
HTR3B O95264 4/20 0.54
HTR3A P46098 4/20 0.54
HTR3D Q70Z44 4/20 0.54
HTR3C Q8WXA8 4/20 0.54
HTR2C P28335 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 2/20 0.54
SLC6A4 P31645 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR1A P08908 1/20 0.54
MAPK1 P28482 1/20 0.54
HTR7 P34969 1/20 0.54
HTT P42858 1/20 0.54
HTR6 P50406 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL16417015 0.86 JAK3 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16417007 0.84 JAK3 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4975825 0.84 JAK3 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16417018 0.81 HTR3A (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5413458 0.81 PIK3CA (0.50) KDM4EHTT
SCHEMBL4524341 0.77 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21268754 0.74 ADRB1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30945083 0.73 ROCK2 (0.50) HTR2CALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL16720137 0.73 AXL (0.42)
SCHEMBL30376196 0.72 MAP3K11 (0.66) MAPK1

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-1971605-B1 PYRROLO [2 , 3-B] PYRIDINE DERIVATIVES AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
CN-101331131-A Pyrrolo [2, 3-b] pyridine derivatives as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-12-24 CN disclosed
EP-1971605-A1 PYRROLO [2 , 3-B] PYRIDINE DERIVATIVES AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-24 EP disclosed
US-7351708-B2 Pyrrolo [2,3-b] pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-01 US disclosed
WO-2007068641-A1 PYRROLO [2 , 3-B] PYRIDINE DERIVATIVES AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142358-A1 Pyrrolo [2,3-B] pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 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-20070142358-A1 Pyrrolo [2,3-B] pyridine derivatives HRH4, HRH3, HRH1 HTR3E 285/4885HTR3B 228/4885HTR3A 233/4885

“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.