SCHEMBL4913265

SCHEMBL4913265

CCCC(=O)c1ccc(NC(C)c2cn[nH]c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
HSD17B3 P37058 2/20 0.40
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STS P08842 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL4917539 0.87 FRK (0.42) FRKCAMK2BCAMK2GCAMK2DHSD17B3
SCHEMBL4913626 0.79 FRK (0.67) FRKCAMK2BCAMK2GCAMK2DL3MBTL1
SCHEMBL4922084 0.78 HSD17B3 (0.40) FRKCAMK2BCAMK2GCAMK2DHSD17B3
SCHEMBL4915288 0.78 HSD17B3 (0.40) FRKCAMK2BCAMK2GCAMK2DHSD17B3
SCHEMBL4918277 0.78 HSD17B3 (0.40) FRKCAMK2BCAMK2GCAMK2DHSD17B3
SCHEMBL4911086 0.77 HSD17B3 (0.41) FRKCAMK2BCAMK2GCAMK2DHSD17B3
SCHEMBL18748246 0.74 HSD17B3 (0.56) HSD17B3L3MBTL1HPGDSMN1; SMN2STS
SCHEMBL4916265 0.72 HSD17B3 (0.42) FRKCAMK2BCAMK2GCAMK2DHSD17B3
SCHEMBL4917782 0.72 HSD17B3 (0.41) FRKCAMK2BCAMK2GCAMK2DHSD17B3
SCHEMBL4918641 0.72 FPR2 (0.47) HSD17B3L3MBTL1HPGDSMN1; SMN2TLK2

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 FRK 2372/4885CAMK2B 250/4885CAMK2G 288/4885

“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.