SCHEMBL3674460

SCHEMBL3674460

CCCC(=O)c1ccc(NCc2cnc[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
FRK P42685 1/20 0.50
CAMK2B Q13554 1/20 0.50
CAMK2G Q13555 1/20 0.50
CAMK2D Q13557 1/20 0.50
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
PGGT1B P53609 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL3636658 0.75 FRK (0.44) FRKCAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL3641127 0.75 FRK (0.47) FRKCAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL3633186 0.75 HTT (0.51) FRKCAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL3639533 0.75 FRK (0.46) FRKCAMK2BCAMK2GCAMK2D
SCHEMBL3641307 0.74 NAMPT (0.50) FRKCAMK2BCAMK2GCAMK2D
SCHEMBL3634267 0.74 ALDH1A1 (0.59) ALDH1A1
SCHEMBL3636468 0.74 NAMPT (0.51) FRKCAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL13743314 0.73 CYP3A4 (0.52) HRH3ALDH1A1CYP3A4CYP2C19
SCHEMBL3637976 0.73 FRK (0.44) FRKCAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL3638724 0.73 FRK (0.44) FRKCAMK2BCAMK2GCAMK2DALDH1A1

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 TAAR1 150/4885FRK 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.