SCHEMBL3633646

SCHEMBL3633646

CC(C)(C)c1n[nH]cc1CNc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
BRD4 O60885 1/20 0.42
LIPE Q05469 7/20 0.41
THRB P10828 1/20 0.41
CACNA1B Q00975 1/20 0.41
IDO1 P14902 1/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3636189 0.84 MAPT (0.42) LMNAMAPTBRD4CACNA1B
SCHEMBL3638694 0.83 CACNA1B (0.41) MAPTNPSR1CACNA1BKDM4EPOLB
SCHEMBL3635006 0.82 SMN1; SMN2 (0.52) LMNAMAPTNPSR1LIPERAB9A
SCHEMBL3640671 0.80 TTBK1 (0.45) LMNAMAPTCACNA1B
SCHEMBL3641121 0.79 CACNA1B (0.44) LMNACACNA1BSCN9A
SCHEMBL3639367 0.77 HTT (0.39) MAPTMAPK1THRBRAB9AKDM4E
SCHEMBL3637561 0.77 HTT (0.51) LMNAMAPTRAB9APOLB
SCHEMBL3635509 0.77 CACNA1B (0.43) MAPTNPSR1CACNA1BKDM4EPOLB
SCHEMBL3635086 0.77 LMNA (0.38) LMNAMAPTNPSR1CACNA1BRAB9A
SCHEMBL3635300 0.76 SCN9A (0.39) LMNAMAPTRAB9APOLBSCN9A

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 LMNA 4827/4885MAPT 572/4885NPSR1 184/4885

“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.