SCHEMBL3635006

SCHEMBL3635006

CC(C)(C)c1n[nH]cc1CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 7/20 0.50
ALDH1A1 P00352 6/20 0.48
HTT P42858 4/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
XBP1 P17861 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.44
LIPE Q05469 1/20 0.43

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
SCHEMBL3633646 0.82 LMNA (0.47) LMNAALDH1A1MAPTPOLBNPSR1
SCHEMBL3638694 0.81 CACNA1B (0.41) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL3640671 0.79 TTBK1 (0.45) LMNAMAPTFFAR1
SCHEMBL3636189 0.79 MAPT (0.42) LMNAHTTMAPTFFAR1
SCHEMBL3635089 0.78 TTBK1 (0.40)
SCHEMBL3635300 0.78 SCN9A (0.39) SMN1; SMN2LMNAALDH1A1MAPTPOLB
SCHEMBL3639407 0.76 SLC6A4 (0.41) ALDH1A1MAPTPOLBXBP1KMT2A
SCHEMBL3641121 0.76 CACNA1B (0.44) LMNA
SCHEMBL3641240 0.75 MAOA (0.42) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL21652285 0.75 LMNA (0.65) SMN1; SMN2LMNAALDH1A1HTTMAPT

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 4 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
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO 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 1228/4885LMNA 4827/4885ALDH1A1 3335/4885

“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.