SCHEMBL3640741

SCHEMBL3640741

CCCCN1Cc2cc(OCc3c[nH]nc3-c3ccccc3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.41
PRF1 P14222 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GRM5 P41594 2/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 1/20 0.38
F10 P00742 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
IDH1 O75874 1/20 0.36
GRM1 Q13255 2/20 0.36
PTPN1 P18031 1/20 0.36
ITGAV P06756 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 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
SCHEMBL3638895 0.94 ADAM17 (0.42) ADAM17PRF1GRM5ITGB3ITGA2B
SCHEMBL3632640 0.91 ADAM17 (0.43) ADAM17PRF1GRM5ITGB3ITGA2B
SCHEMBL3639261 0.91 PRF1 (0.41) ADAM17PRF1GRM5ITGB3ITGA2B
SCHEMBL3634437 0.91 PSEN1 (0.43) ADAM17PRF1GRM5ITGB3ITGA2B
SCHEMBL3635952 0.90 ADAM17 (0.40) ADAM17PRF1KDM4EALDH1A1GRM5
SCHEMBL3635276 0.90 PRF1 (0.37) ADAM17PRF1GRM5GRM1EGFR
SCHEMBL3635212 0.89 PRF1 (0.40) ADAM17PRF1KDM4EALDH1A1GRM5
SCHEMBL3635754 0.89 ADAM17 (0.40) ADAM17ITGB3ITGA2BF10
SCHEMBL3633480 0.89 DRD2 (0.40) ADAM17PRF1GRM5GRM1
SCHEMBL3638910 0.88 ADAM17 (0.40) ADAM17ITGB3ITGA2BF10ITGAV

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 7 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 claimed
EP-2167464-B1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBVIE DEUTSCHLAND (DE) 2014-12-03 EP claimed
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-B1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBVIE DEUTSCHLAND (DE) 2014-12-03 EP 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 ADAM17 4441/4885PRF1 4881/4885KDM4E 1894/4885

“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.