SCHEMBL3633199

SCHEMBL3633199

CN(C)Cc1cccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.43
NOS2 P35228 1/20 0.43
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CSF1R P07333 1/20 0.38
LMNA P02545 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
PPARA Q07869 1/20 0.37
ACP1 P24666 1/20 0.37
CACNA1B Q00975 1/20 0.36
LSS P48449 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 1/20 0.35
SCN9A Q15858 1/20 0.35
SETD7 Q8WTS6 1/20 0.35

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
SCHEMBL3637033 0.85 MAOB (0.41) MAPTGAAHDAC1HDAC8HDAC6
SCHEMBL3636214 0.84 MAPT (0.49) MAPTGAACSF1RLMNACLK1
SCHEMBL3636135 0.84 ERBB2 (0.47) MAPTGAALMNACLK1DYRK1A
SCHEMBL3638354 0.82 HDAC1 (0.47) NOS1MAPTGAALMNAHDAC1
SCHEMBL3636746 0.82 HDAC1 (0.51) NOS1MAPTGAACSF1RHDAC1
SCHEMBL3640071 0.82 NR1H2 (0.41) MAPTGAAHDAC1HDAC8HDAC6
SCHEMBL3641227 0.81 ERBB2 (0.47) MAPTGAALMNACLK1DYRK1A
SCHEMBL3633540 0.80 FRK (0.53) NOS1NOS2MAPTGAACSF1R
SCHEMBL3640361 0.80 FLT1 (0.40) MAPTGAALMNAHDAC1HDAC8
SCHEMBL3640538 0.80 SLC6A4 (0.44) ACP1CACNA1BLSSCYP3A4SCN9A

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 6 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
CN-101687790-B Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBVIE INC 2015-02-11 CN 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
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN 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 NOS1 3729/4885NOS2 2789/4885MAPT 572/4885

“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.