SCHEMBL4916017

SCHEMBL4916017

CCCC(=O)c1ccc(NC(Cc2ccccc2)c2cn[nH]c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ROCK2 O75116 11/20 0.39
SIGMAR1 Q99720 1/20 0.39
ROCK1 Q13464 7/20 0.38
PPARG P37231 1/20 0.37
GCGR P47871 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
SCHEMBL4919053 0.87 HSD17B3 (0.40) HPGDSMN1; SMN2L3MBTL1ALDH1A1ROCK2
SCHEMBL4911086 0.81 HSD17B3 (0.41) HPGDSMN1; SMN2L3MBTL1ALDH1A1ROCK2
SCHEMBL4914858 0.79 HSD17B3 (0.39) HPGDSMN1; SMN2L3MBTL1ALDH1A1ROCK2
SCHEMBL27988532 0.72 AKT1 (0.44) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3636594 0.72 CYP1A2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL3636468 0.71 NAMPT (0.51) HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4914541 0.71 HPGD (0.42) HPGDSMN1; SMN2L3MBTL1ALDH1A1CYP1A2
SCHEMBL4916551 0.71 F2 (0.41) HPGDSMN1; SMN2L3MBTL1ALDH1A1CYP1A2
SCHEMBL4915274 0.71 HPGD (0.40) HPGDSMN1; SMN2L3MBTL1ALDH1A1CYP1A2
SCHEMBL4912835 0.70 HSD17B3 (0.39) HPGDSMN1; SMN2L3MBTL1GCGR

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 3 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 claimed
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 HPGD 994/4885SMN1; SMN2 1228/4885L3MBTL1 4483/4885

“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.