SCHEMBL3634544

SCHEMBL3634544

c1ccc(Oc2ccc(NCc3c[nH]nc3-c3cccs3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 1/20 0.41
BTK Q06187 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
CACNA1B Q00975 4/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
FLT1 P17948 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL3639036 0.91 GRK2 (0.46) FFAR1FFAR4CACNA1BALDH1A1LMNA
SCHEMBL3641130 0.86 NR1H4 (0.46) NR1H4GAAALDH1A1KMT2AMAPT
SCHEMBL3637346 0.84 KMT2A (0.42) NR1H4CACNA1BGAAALDH1A1KMT2A
SCHEMBL3640227 0.84 NR1H4 (0.45) NR1H4GAAALDH1A1KMT2AMAPT
SCHEMBL3640854 0.83 MAPT (0.49) KMT2AMAPTMEN1FLT1LMNA
SCHEMBL3640828 0.81 KDM4E (0.47) FFAR1NR1H4KMT2AMAPTMEN1
SCHEMBL3636270 0.81 MAPT (0.47) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL3641293 0.80 POLB (0.46) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL3641222 0.80 HPGD (0.43) NR1H4ALDH1A1KMT2AMAPTMEN1
SCHEMBL3635764 0.80 MAPT (0.44) ALDH1A1KMT2AMAPTMEN1LMNA

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 FFAR1 173/4885FFAR4 242/4885BTK 4271/4885

“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.