SCHEMBL4908970

SCHEMBL4908970

CCCC(=O)c1ccc(NC(CCC)c2ncc[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.56
HSD17B3 P37058 1/20 0.40
TLK2 Q86UE8 1/20 0.40
F7 P08709 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
VDR P11473 1/20 0.36
GCGR P47871 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4918641 0.86 FPR2 (0.47) FPR2HSD17B3TLK2F7HPGD
SCHEMBL4640751 0.80 L3MBTL1 (0.42) FPR2HSD17B3TLK2HPGDSMN1; SMN2
SCHEMBL4912835 0.75 HSD17B3 (0.39) FPR2HSD17B3HPGDSMN1; SMN2L3MBTL1
SCHEMBL4642757 0.73 HSD17B3 (0.44) FPR2HSD17B3L3MBTL1
SCHEMBL5597243 0.72 HSD17B3 (0.46) FPR2HSD17B3
SCHEMBL21698095 0.71 FPR2 (1.00) FPR2
SCHEMBL17286102 0.71 FPR2 (1.00) FPR2
SCHEMBL4642325 0.71 HSD17B3 (0.47) HSD17B3
SCHEMBL18748246 0.71 HSD17B3 (0.56) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4911780 0.71 HSD17B3 (0.40) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1

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 2 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 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 FPR2 343/4885HSD17B3 2044/4885TLK2 1892/4885

“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.