SCHEMBL4914858

SCHEMBL4914858

CCCC(=O)c1ccc(NC(c2cn[nH]c2)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.39
FRK P42685 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STS P08842 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 2/20 0.35
ROCK2 O75116 6/20 0.34
ACACB O00763 1/20 0.34
ALDH1A1 P00352 1/20 0.34
USP5 P45974 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL4911086 0.88 HSD17B3 (0.41) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL4919053 0.84 HSD17B3 (0.40) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL4916017 0.79 HPGD (0.41) HPGDSMN1; SMN2L3MBTL1ROCK2ALDH1A1
SCHEMBL18748246 0.73 HSD17B3 (0.56) HSD17B3HPGDSMN1; SMN2L3MBTL1STS
SCHEMBL3636468 0.73 NAMPT (0.51) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL4913265 0.70 FRK (0.43) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL4922084 0.70 HSD17B3 (0.40) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL20992124 0.70 HSD17B3 (0.46) HSD17B3HPGDSMN1; SMN2L3MBTL1STS
SCHEMBL4916265 0.69 HSD17B3 (0.42) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL4912835 0.69 HSD17B3 (0.39) HSD17B3FRKCAMK2BCAMK2GCAMK2D

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-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US claimed
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 HSD17B3 2044/4885FRK 2372/4885CAMK2B 250/4885

“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.