SCHEMBL4914729

SCHEMBL4914729

CCCC(C)Oc1cccc(C(=O)NCc2c[nH]nc2C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
DDR1 Q08345 2/20 0.40
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP13 P45452 1/20 0.38
APOBEC3G Q9HC16 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL4911611 0.87 GAA (0.47) GAAHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL4915833 0.83 SMN1; SMN2 (0.43) GAAHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL3636247 0.82 MAPT (0.39) HPGDALDH1A1LMNAHTTPPARG
SCHEMBL4916143 0.81 SMN1; SMN2 (0.40) GAAHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL4908151 0.78 EPHX2 (0.59) GAAHPGDEPHX2KMT2A
SCHEMBL4915763 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNATAS1R3TAS1R1
SCHEMBL3634196 0.73 TAS1R3 (0.56) GAASMN1; SMN2ALDH1A1LMNATAS1R3
SCHEMBL3637102 0.73 MAPT (0.40) GAAHPGDALDH1A1LMNAHTT
SCHEMBL12124925 0.70 TAS1R3 (0.53) HPGDSMN1; SMN2ALDH1A1LMNATAS1R3
SCHEMBL4914520 0.69 TRPV1 (0.52) HPGDLMNAHTTKMT2APPARG

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 GAA 2566/4885HPGD 994/4885SMN1; SMN2 1228/4885

“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.