SCHEMBL9988352

SCHEMBL9988352

CC(C)(C)c1ccc(CN2CCN(C(=O)CCCl)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
GPR183 P32249 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
ALOX5 P09917 7/20 0.51
PTGS1 P23219 1/20 0.51
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
LMNA P02545 1/20 0.48
MDH1 P40925 1/20 0.47
MDH2 P40926 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
SCHEMBL10223565 0.82 HRH3 (0.71) MEN1KMT2AL3MBTL1GPR183ALDH1A1
SCHEMBL9987696 0.82 ALDH1A1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL9988381 0.81 HTR7 (0.66) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1044315 0.80 KCNH2 (0.58) MEN1KMT2AGPR183ALDH1A1POLB
SCHEMBL10254050 0.79 MEN1 (0.60) MEN1KMT2AL3MBTL1GPR183ALDH1A1
SCHEMBL22016055 0.77 MEN1 (0.60) MEN1KMT2AGPR183ALDH1A1HRH3
SCHEMBL22131068 0.77 MEN1 (0.60) MEN1KMT2AGPR183ALDH1A1HRH3
SCHEMBL5066438 0.76 MDH1 (0.66) MEN1KMT2AGPR183SMN1; SMN2ALDH1A1
SCHEMBL17938599 0.76 ALDH1A1 (0.74) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL31587154 0.76 MEN1 (0.88) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383631-B2 1,6-disubstituted-3-amino-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridin-7-one compounds and preparation thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-26 US disclosed
US-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 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-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, THPO, PLEC MEN1 620/4885KMT2A 2707/4885L3MBTL1 4749/4885

“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.