SCHEMBL4918641

SCHEMBL4918641

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.47
HSD17B3 P37058 1/20 0.41
TLK2 Q86UE8 1/20 0.40
F7 P08709 1/20 0.40
SYK P43405 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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
SCHEMBL4908970 0.86 FPR2 (0.56) FPR2HSD17B3TLK2F7HPGD
SCHEMBL5350083 0.83 FPR2 (0.52) FPR2F7SYKKDM4EALDH1A1
SCHEMBL4913727 0.76 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL4916265 0.76 HSD17B3 (0.42) HSD17B3HPGDSMN1; SMN2L3MBTL1THRA
SCHEMBL4640751 0.76 L3MBTL1 (0.42) FPR2HSD17B3TLK2HPGDSMN1; SMN2
SCHEMBL4917782 0.75 HSD17B3 (0.41) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18748246 0.75 HSD17B3 (0.56) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3633940 0.72 KDM4E (0.58) HPGDSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL4911086 0.72 HSD17B3 (0.41) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4922084 0.72 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.