SCHEMBL4912835

SCHEMBL4912835

CCCC(=O)c1ccc(NC(CCC)c2c[nH]nc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
STS P08842 1/20 0.36
ATM Q13315 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
FRK P42685 1/20 0.34
CAMK2B Q13554 1/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
GCGR P47871 3/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GCG P01275 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL4911780 0.94 HSD17B3 (0.40) HSD17B3L3MBTL1HPGDSMN1; SMN2STS
SCHEMBL4922084 0.87 HSD17B3 (0.40) HSD17B3L3MBTL1HPGDSMN1; SMN2STS
SCHEMBL4919053 0.77 HSD17B3 (0.40) HSD17B3L3MBTL1HPGDSMN1; SMN2STS
SCHEMBL4908970 0.75 FPR2 (0.56) HSD17B3L3MBTL1HPGDSMN1; SMN2GCGR
SCHEMBL3634435 0.74 FRK (0.49) HSD17B3L3MBTL1HPGDSMN1; SMN2STS
SCHEMBL4917539 0.74 FRK (0.42) HSD17B3L3MBTL1HPGDSMN1; SMN2STS
SCHEMBL4915274 0.73 HPGD (0.40) L3MBTL1HPGDSMN1; SMN2MAPK1CAMK2B
SCHEMBL4911086 0.71 HSD17B3 (0.41) HSD17B3L3MBTL1HPGDSMN1; SMN2STS
SCHEMBL4913691 0.71 RCE1 (0.36) L3MBTL1HPGDSMN1; SMN2MAPK1MAPT
SCHEMBL4916551 0.71 F2 (0.41) L3MBTL1HPGDSMN1; SMN2GCGRMAPT

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 HSD17B3 2044/4885L3MBTL1 4483/4885HPGD 994/4885

“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.