SCHEMBL3640671

SCHEMBL3640671

CC(C)(C)c1n[nH]cc1CNc1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 2/20 0.45
TTBK2 Q6IQ55 1/20 0.44
MAOB P27338 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
ESR2 Q92731 1/20 0.39
CACNA1B Q00975 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 1/20 0.39
P2RY1 P47900 2/20 0.39
MAPK14 Q16539 3/20 0.38
KDR P35968 3/20 0.38
TNNI3K Q59H18 2/20 0.38
BRAF P15056 1/20 0.38
LMNA P02545 1/20 0.38
CDK8 P49336 2/20 0.37

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
SCHEMBL3638694 0.90 CACNA1B (0.41) TTBK1TTBK2MAOBTLR8TLR7
SCHEMBL3637932 0.86 RAF1 (0.43) TTBK1TTBK2GAALTA4HFFAR1
SCHEMBL3635877 0.85 MAPT (0.52) MAOBGAAMAPTKDRLMNA
SCHEMBL3635509 0.85 CACNA1B (0.43) MAOBCACNA1BGAAMAPTFFAR1
SCHEMBL3636189 0.83 MAPT (0.42) CACNA1BMAPTLMNAFFAR1FRK
SCHEMBL3638362 0.82 GRK2 (0.47) CACNA1BMAPTLMNAFFAR1
SCHEMBL3641121 0.82 CACNA1B (0.44) TTBK1TTBK2MAOBCACNA1BLMNA
SCHEMBL3639367 0.81 HTT (0.39) TTBK1TTBK2GAAMAPTMAPK14
SCHEMBL3635089 0.80 TTBK1 (0.40) TTBK1TTBK2MAOB
SCHEMBL3633646 0.80 LMNA (0.47) CACNA1BMAPTLMNA

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 TTBK1 2223/4885TTBK2 1053/4885MAOB 878/4885

“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.