SCHEMBL5136265

SCHEMBL5136265

CC(C)CN1CCc2c[nH]nc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GRM5 P41594 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PIK3CD O00329 1/20 0.36
BRS3 P32247 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT5 O14744 3/20 0.32
WDR77 Q9BQA1 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
COMT P21964 1/20 0.31

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
SCHEMBL5136701 0.82 PNMT (0.41) GRM5HRH3
SCHEMBL5134842 0.79 PNMT (0.43) MAPTLMNATHRB
SCHEMBL17993866 0.76 HRH3 (0.34) LMNAHRH3THRBNPC1RAB9A
SCHEMBL5135256 0.73 MAOA (0.44) CYP2C19
SCHEMBL17377025 0.73 MEN1 (0.49) MEN1KMT2ANPC1RAB9A
SCHEMBL5136699 0.71 HRH3 (0.47) HRH3
SCHEMBL19005656 0.69
SCHEMBL22512462 0.69 RAD52 (0.41) LMNAGRM5HRH3CYP3A4
SCHEMBL21672462 0.69
SCHEMBL5136998 0.69 HTR1A (0.41) CYP2D6THRBCYP2C19MEN1KMT2A

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 MAPT 3423/4885LMNA 4518/4885TP53 2/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS MAPT 2997/4885LMNA 4494/4885TP53 2/4885

“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.