SCHEMBL22955339

SCHEMBL22955339

CN1CCC(CC(C)(C)N2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
POLB P06746 2/20 0.36
ALDH1A1 P00352 4/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
NAMPT P43490 1/20 0.31
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18745447 0.87 POLB (0.35) POLBALDH1A1PKML3MBTL1GAA
SCHEMBL20375137 0.83 POLB (0.33) POLBALDH1A1PKMCYP1A2CYP2D6
SCHEMBL21743370 0.83 HRH3 (0.37) POLBALDH1A1PKMCYP2D6L3MBTL1
SCHEMBL19050582 0.83 POLB (0.33) POLBALDH1A1PKMCYP1A2CYP2D6
SCHEMBL20089204 0.81 POLB (0.32) POLBALDH1A1CYP1A2CYP2D6GAA
SCHEMBL22477850 0.78 NCF1 (0.41) NCF1ACHEHRH3
SCHEMBL8740002 0.75 NCF1 (0.54) NCF1ACHEHRH3
SCHEMBL18737371 0.75 POLB (0.30) POLBCYP1A2CYP2D6
SCHEMBL23660863 0.75 ALDH1A1 (0.31) ALDH1A1PKML3MBTL1
SCHEMBL21943321 0.75 ALDH1A1 (0.35) POLBALDH1A1PKML3MBTL1GAA

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-20210032229-A1 PYRIDINE 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 NCF1 3508/4885POLB 1974/4885ALDH1A1 1438/4885

“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.