SCHEMBL5136998

SCHEMBL5136998

c1coc(CN2CCc3c[nH]nc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLPP Q16740 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17377025 0.78 MEN1 (0.49) HTR1ASIGMAR1MEN1KMT2ACLPP
SCHEMBL5137692 0.76 ALDH1A1 (0.55) HTR1ADRD2HTR2ASIGMAR1MEN1
SCHEMBL5134823 0.73 CHRNB2 (0.51) DRD2ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL5136701 0.72 PNMT (0.41) DRD2
SCHEMBL1171381 0.70 SIGMAR1 (0.46) SIGMAR1MEN1KMT2A
SCHEMBL5136699 0.70 HRH3 (0.47) HTR1ADRD2SIGMAR1
SCHEMBL5134842 0.70 PNMT (0.43) DRD2SIGMAR1ALDH1A1KDM4ETHRB
SCHEMBL6973256 0.69 MEN1 (0.47) HTR1ADRD2HTR2ASIGMAR1MEN1
SCHEMBL5136265 0.69 MAPT (0.40) MEN1KMT2ATHRBCYP2D6CYP2C19
SCHEMBL5134651 0.68 HRH3 (0.54) HTR1ADRD2HTR2ASIGMAR1

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 HTR1A 2201/4885DRD2 4026/4885HTR2A 3496/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS HTR1A 1789/4885DRD2 3976/4885HTR2A 3203/4885

“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.