SCHEMBL3633540

SCHEMBL3633540

CN(C)Cc1cccc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.53
CAMK2B Q13554 1/20 0.53
CAMK2G Q13555 1/20 0.53
CAMK2D Q13557 1/20 0.53
NOS1 P29475 2/20 0.41
NOS2 P35228 1/20 0.41
MAPK1 P28482 1/20 0.39
CSF1R P07333 1/20 0.37
TDO2 P48775 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LSS P48449 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.35
ACHE P22303 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL3633199 0.80 NOS1 (0.43) NOS1NOS2CSF1RLMNALSS
SCHEMBL3637033 0.65 MAOB (0.41) MAPTGAAEPHX2SMN1; SMN2CLK1
Hydrochloric Acid SCHEMBL6578200 0.65 NPC1 (0.44) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4243270 0.64 HTR2A (0.56) LMNAALDH1A1MAPTGAACYP3A4
SCHEMBL3636214 0.63 MAPT (0.49) CSF1RLMNAMAPTGAASMN1; SMN2
SCHEMBL23134330 0.63 NOS1 (0.51) NOS1NOS2ALDH1A1MAPTCYP3A4
Hydrochloric Acid SCHEMBL8390076 0.63 IDO1 (0.54) LMNAALDH1A1MAPTGAACYP3A4
SCHEMBL3636135 0.63 ERBB2 (0.47) LMNAALDH1A1TDP1MAPTGAA
SCHEMBL2056267 0.63 HRH3 (0.68) ALDH1A1LSS
SCHEMBL3640071 0.63 NR1H2 (0.41) MAPTGAASMN1; SMN2CLK1DYRK1A

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 FRK 2372/4885CAMK2B 250/4885CAMK2G 288/4885

“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.