SCHEMBL371098

SCHEMBL371098

C=CCC1CCC(=O)/C(=C\N(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAP1LC3B Q9GZQ8 5/20 0.36
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CREBBP Q92793 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
CYP19A1 P11511 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL371099 1.00 MAPT (0.37) MAPTGAANPSR1MAP1LC3BLMNA
SCHEMBL10207848 1.00 MAPT (0.37) MAPTGAANPSR1MAP1LC3BLMNA
SCHEMBL11780768 0.77 FAAH (0.36) GAANOS1NOS2CYP19A1
SCHEMBL6837455 0.73 SMN1; SMN2 (0.39) MAPTGAANPSR1MAP1LC3BLMNA
SCHEMBL22057713 0.73 SMN1; SMN2 (0.39) MAPTGAANPSR1MAP1LC3BLMNA
SCHEMBL4007770 0.67 NOS1 (0.41) MAPTGAANOS1NOS2CYP19A1
SCHEMBL6837311 0.67 MAP1LC3B (0.47) MAPTGAANPSR1MAP1LC3BLMNA
SCHEMBL30989573 0.66 CCR6 (0.33) MAPTMAP1LC3BLMNACYP2C9ALOX15
SCHEMBL3259636 0.66
SCHEMBL19302160 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. 2013-09-26 US disclosed
EP-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 EP disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 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 (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-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 MAPT 1266/4885GAA 2817/4885NPSR1 324/4885

“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.