SCHEMBL4915833

SCHEMBL4915833

CCC(C)COc1cccc(C(=O)NCc2c[nH]nc2C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
DDR1 Q08345 2/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KAT6A Q92794 2/20 0.38

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 0.86 GAA (0.47) SMN1; SMN2ALDH1A1HTTKMT2AGAA
SCHEMBL4914729 0.83 GAA (0.42) SMN1; SMN2ALDH1A1HTTKMT2AGAA
SCHEMBL3636200 0.81 MAPT (0.42) ALDH1A1HTTKMT2AGAAHPGD
SCHEMBL4916143 0.78 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HTTGAAHPGD
SCHEMBL4908151 0.78 EPHX2 (0.59) KMT2AGAAHPGDKAT6A
SCHEMBL4914520 0.71 TRPV1 (0.52) HTTKMT2AHPGDLMNAPPARG
SCHEMBL4914529 0.69 ROCK2 (0.53) HTTKMT2AMAPK1NR1H4LMNA
SCHEMBL3637102 0.68 MAPT (0.40) ALDH1A1HTTKMT2AGAAHPGD
SCHEMBL3641194 0.68 MAPT (0.41) ALDH1A1HTTKMT2AGAAHPGD
SCHEMBL22327399 0.67 GAA (0.54) SMN1; SMN2ALDH1A1KMT2AGAAHPGD

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 SMN1; SMN2 1228/4885ALDH1A1 3335/4885HTT 335/4885

“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.