SCHEMBL3639366

SCHEMBL3639366

CCCC(=O)c1ccc(NCc2ccc(-c3ccco3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
FLT3 P36888 2/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
POLB P06746 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HDAC1 Q13547 1/20 0.40
FRK P42685 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CDK1 P06493 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
SCHEMBL3638402 0.82 SMN1; SMN2 (0.51) FLT3HDAC1FRKCAMK2BCAMK2G
SCHEMBL3638699 0.80 HPGDS (0.52) ADORA3ADORA2AADORA1FLT3TYRO3
SCHEMBL3636770 0.77 FRK (0.47) FLT3ALDH1A1HDAC1FRKCAMK2B
SCHEMBL3637302 0.77 MAPT (0.50) ALDH1A1HDAC1FRKCAMK2BCAMK2G
SCHEMBL3640358 0.75 ALDH1A1 (0.53) POLBALDH1A1RAB9AKDM4ETDP1
SCHEMBL3635170 0.75 POLB (0.51) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL3634572 0.75 HDAC1 (0.51) ADORA2AHDAC1FRKCAMK2BCAMK2G
SCHEMBL3635601 0.75 L3MBTL1 (0.44) ALDH1A1HDAC1FRKCAMK2BCAMK2G
SCHEMBL3635242 0.74 FRK (0.54) ADORA3ADORA2AADORA1FLT3HDAC1
SCHEMBL3634267 0.73 ALDH1A1 (0.59) POLBALDH1A1HDAC1MEN1KMT2A

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 ADORA3 291/4885ADORA2A 112/4885ADORA2B 268/4885

“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.