SCHEMBL5136699

SCHEMBL5136699

c1ccc(CCN2CCc3c[nH]nc3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
SLC6A3 Q01959 1/20 0.45
GRIN2B Q13224 2/20 0.43
GRM2 Q14416 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 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
SCHEMBL5134651 0.92 HRH3 (0.54) HRH3SIGMAR1GRIN2BHTR1ADRD2
SCHEMBL17377025 0.86 MEN1 (0.49) SIGMAR1SLC6A3HTR1A
SCHEMBL1171272 0.78 SIGMAR1 (0.50) HRH3SIGMAR1GRIN2BDRD2
SCHEMBL5134842 0.78 PNMT (0.43) SIGMAR1DRD2
SCHEMBL1171381 0.78 SIGMAR1 (0.46) HRH3SIGMAR1
SCHEMBL6512477 0.76 HRH3 (0.68) HRH3SIGMAR1GRIN2BHTR1ADRD2
SCHEMBL5134823 0.75 CHRNB2 (0.51) DRD2
SCHEMBL15319631 0.74 MEN1 (0.56) SIGMAR1SLC6A3HTR1A
SCHEMBL5136701 0.74 PNMT (0.41) HRH3DRD2
SCHEMBL5069905 0.73 TSHR (0.49)

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-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 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 (2 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS HRH3 1887/4885SIGMAR1 3619/4885SLC6A3 3999/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS HRH3 1325/4885SIGMAR1 3415/4885SLC6A3 3786/4885

“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.