SCHEMBL3636017

SCHEMBL3636017

CCCC(=O)c1ccc(NCc2nccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.48
CYP2C19 P33261 1/20 0.48
TRPM5 Q9NZQ8 1/20 0.44
CYP2C9 P11712 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HSD17B3 P37058 1/20 0.43
FRK P42685 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
SLC27A1 Q6PCB7 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AGER Q15109 1/20 0.39
PTGS2 P35354 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL5352185 0.82 TRPM5 (0.49) ADORA2ACYP2C19TRPM5SMN1; SMN2AGER
SCHEMBL3635050 0.81 SCD (0.46) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL20132429 0.80 HDAC6 (0.51) ADORA2ACYP2C19TRPM5AGER
SCHEMBL3636383 0.77 HSD17B3 (0.44) ADORA2ACYP2C19HSD17B3FRKCAMK2B
SCHEMBL3635594 0.75 FRK (0.42) ADORA2ACYP2C19HSD17B3FRKCAMK2B
SCHEMBL7444679 0.75 KLK1 (0.53) TRPM5KLK1
SCHEMBL3633186 0.75 HTT (0.51) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL3635224 0.75 MAOA (0.56) CYP2C19CYP2C9SLC27A1HPGDSMN1; SMN2
SCHEMBL3639533 0.75 FRK (0.46) HSD17B3FRKCAMK2BCAMK2GCAMK2D
SCHEMBL3638699 0.74 HPGDS (0.52) ADORA2AFRKCAMK2BCAMK2GCAMK2D

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 4 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
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO 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 ADORA2A 112/4885CYP2C19 2357/4885TRPM5 228/4885

“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.