SCHEMBL4914541

SCHEMBL4914541

CCCC(=O)c1ccc(NC(c2ccccc2)c2cn[nH]c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RCE1 Q9Y256 6/20 0.42
FRK P42685 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P4HB P07237 1/20 0.39
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
VDR P11473 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
SCHEMBL4917539 0.84 FRK (0.42) HPGDSMN1; SMN2L3MBTL1FRKCAMK2B
SCHEMBL4913265 0.83 FRK (0.43) HPGDSMN1; SMN2L3MBTL1FRKCAMK2B
SCHEMBL4913283 0.80 HPGD (0.42) HPGDSMN1; SMN2L3MBTL1RCE1CYP2C19
SCHEMBL4917945 0.77 SMN1; SMN2 (0.40) HPGDSMN1; SMN2L3MBTL1RCE1ALDH1A1
SCHEMBL4915274 0.74 HPGD (0.40) HPGDSMN1; SMN2L3MBTL1RCE1CAMK2B
SCHEMBL4916551 0.74 F2 (0.41) HPGDSMN1; SMN2L3MBTL1RCE1ALDH1A1
SCHEMBL4913691 0.74 RCE1 (0.36) HPGDSMN1; SMN2L3MBTL1RCE1ALDH1A1
SCHEMBL4918986 0.73 L3MBTL1 (0.42) HPGDSMN1; SMN2L3MBTL1RCE1ALDH1A1
SCHEMBL4916663 0.72 FGFR2 (0.37) HPGDSMN1; SMN2L3MBTL1RCE1ALDH1A1
SCHEMBL4916017 0.71 HPGD (0.41) HPGDSMN1; SMN2L3MBTL1ALDH1A1CYP3A4

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.