SCHEMBL3639795

SCHEMBL3639795

CCCN1Cc2cc(OCc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)ccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.41
GRM5 P41594 1/20 0.41
MAOB P27338 4/20 0.39
MAOA P21397 3/20 0.39
PRF1 P14222 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADAM17 P78536 2/20 0.37
PPARD Q03181 3/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SRD5A1 P18405 2/20 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
SCHEMBL3635212 0.95 PRF1 (0.40) GRM1GRM5MAOBMAOAPRF1
SCHEMBL3637566 0.91 HRH3 (0.48) GRM5MAOBMAOAHRH3ITGB3
SCHEMBL3634733 0.91 MAOB (0.39) MAOBMAOAHRH3ADAM17PPARD
SCHEMBL3635898 0.91 MAOA (0.39) MAOBMAOAHRH3ADAM17PPARD
SCHEMBL3632696 0.91 ADAM17 (0.44) GRM1GRM5MAOBMAOAPRF1
SCHEMBL3636217 0.91 GRM1 (0.41) GRM1GRM5MAOBMAOAHRH3
SCHEMBL3639723 0.91 MAOA (0.38) MAOBMAOAHRH3ADAM17PPARD
SCHEMBL3634660 0.90 MAOB (0.39) MAOBMAOAHRH3ADAM17PPARD
SCHEMBL3636636 0.89 GRM1 (0.40) GRM1GRM5MAOBMAOAPRF1
SCHEMBL3636642 0.89 MAOA (0.40) MAOBMAOAHRH3ADAM17PPARD

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 GRM1 3/4885GRM5 5/4885MAOB 878/4885

“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.