SCHEMBL8326809

SCHEMBL8326809

CONC(=O)C1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
GAA P10253 1/20 0.37
GSK3B P49841 3/20 0.36
DYRK1A Q13627 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
WNT1 P04628 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 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
SCHEMBL6971012 0.83
SCHEMBL31623279 0.83 HSD17B10 (0.46) SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL18713111 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ATP53GAA
SCHEMBL18390298 0.79 PTPN2 (0.38) SMN1; SMN2NPC1RAB9AMKNK1HDAC3
SCHEMBL18713216 0.79 GAA (0.45) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL4056944 0.79 MKNK1 (0.39) SMN1; SMN2MKNK1GSK3BDYRK1AHDAC3
SCHEMBL25231817 0.79
SCHEMBL13527464 0.79 HDAC8 (0.50) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL22078923 0.77 HDAC8 (0.54) SMN1; SMN2MKNK1GAAGSK3BDYRK1A
SCHEMBL24192985 0.77 HDAC8 (0.54) SMN1; SMN2MAPTTSHRHSD17B10

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-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
EP-0946511-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-10-06 EP disclosed
WO-1998028275-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1998-07-02 WO 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF SMN1; SMN2 989/4885NPC1 4333/4885RAB9A 885/4885

“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.