SCHEMBL6837246

SCHEMBL6837246

CN(C)C=C1C(=O)CC2(CC2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
HIF1A Q16665 1/20 0.41
MAP1LC3B Q9GZQ8 6/20 0.41
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
CREBBP Q92793 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
TP53 P04637 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL2575397 0.80 ALDH1A1 (0.47) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL6837311 0.74 MAP1LC3B (0.47) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL38654888 0.71 MAPT (0.40) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL3142596 0.70 SMN1; SMN2 (0.52) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL955853 0.70 SMN1; SMN2 (0.57) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL24933630 0.68 MAP1LC3B (0.43) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL13315834 0.68 MAP1LC3B (0.43) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL21635879 0.68 SMN1; SMN2 (0.50) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL17887331 0.68 MAPT (0.41) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL9955864 0.67 MAP1LC3B (0.55) MAPTGAANPSR1ALDH1A1SMN1; SMN2

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
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-12-20 US disclosed
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-04 US disclosed
US-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
US-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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 (3 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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. GRM3, GRM6, GRM1 MAPT 3677/4885GAA 4819/4885NPSR1 268/4885
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND ATG7, BECN1, SQSTM1 MAPT 584/4885GAA 896/4885NPSR1 3937/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 MAPT 584/4885GAA 896/4885NPSR1 3937/4885

“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.