SCHEMBL22952671

SCHEMBL22952671

CC(C)c1nnc2n1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
HTT P42858 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.38
LMNA P02545 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PDK2 Q15119 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL19005610 0.91 NR1H2 (0.43) NR1H2HTTATMALDH1A1MAPT
SCHEMBL10095021 0.82 NR1H2 (0.47) NR1H2HTTATMALDH1A1MAPT
SCHEMBL12330352 0.81 NR1H2 (0.43) NR1H2HTTATMMAPK1CYP8B1
SCHEMBL1497486 0.81 P2RX7 (0.49) NR1H2HTTATMALDH1A1MAPT
SCHEMBL22952373 0.81 P2RX7 (0.48) NR1H2HTTATMALDH1A1MAPT
SCHEMBL15580338 0.81 NR1H2 (0.46) NR1H2HTTATMALDH1A1MAPT
SCHEMBL17229834 0.80 PARP1 (0.40) PARP1PARP2PDK2
SCHEMBL20775252 0.80 NR1H2 (0.45) NR1H2HTTATMALDH1A1MAPT
SCHEMBL19005617 0.80 NR1H2 (0.45) NR1H2HTTATMALDH1A1MAPT
SCHEMBL573286 0.80 NR1H2 (0.45) NR1H2HTTATMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 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-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 NR1H2 176/4885HTT 1035/4885ATM 3965/4885

“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.