SCHEMBL3640392

SCHEMBL3640392

CCC(C)Oc1cccc(NCc2c[nH]nc2-c2cccs2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
HPGD P15428 5/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3636752 0.92 POLB (0.35) POLBHDAC4MEF2DHPGDKDM4E
SCHEMBL3639976 0.92 POLB (0.37) POLBHDAC4MEF2DHPGDKDM4E
SCHEMBL3641302 0.86 F2 (0.36) POLBHPGDKDM4EALDH1A1NPC1
SCHEMBL3641293 0.85 POLB (0.46) POLBHPGDKDM4EALDH1A1NPC1
SCHEMBL3639036 0.82 GRK2 (0.46) POLBKDM4EALDH1A1LMNAMAPK1
SCHEMBL3633959 0.81 MAPT (0.39) POLBGAANPSR1MAPTLMNA
SCHEMBL4911760 0.81 MEN1 (0.44) POLBHPGDKDM4EALDH1A1NPC1
SCHEMBL3636897 0.81 FLT1 (0.41) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3638148 0.79 KDM4E (0.47) POLBHPGDKDM4EALDH1A1GAA
SCHEMBL3635359 0.79 NOS1 (0.41) POLBHPGDKDM4EALDH1A1NPC1

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 POLB 4225/4885HDAC4 1007/4885MEF2D 3315/4885

“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.