SCHEMBL13202676

SCHEMBL13202676

Cc1noc2ccc(C(F)(F)F)cc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.58
▸ BRD4 O60885 1/20 0.44
▸ KIF11 P52732 1/20 0.41
▸ GRM4 Q14833 5/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HRH1 P35367 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL12646428 0.86 EPHX2 (0.56) EPHX2BRD4KIF11CHRNB2CHRNA4
SCHEMBL12217139 0.84 GRM4 (0.41) EPHX2BRD4KIF11GRM4CYP1A2
SCHEMBL10489680 0.79 FFAR1 (0.44) EPHX2L3MBTL1KCNH2
SCHEMBL2634187 0.79 EPHX2 (0.58) EPHX2BRD4
SCHEMBL30410154 0.79 EPHX2 (0.58) EPHX2BRD4
SCHEMBL18015728 0.78 EPHX2 (0.54) EPHX2KIF11GRM4KCNH2
SCHEMBL18014810 0.76 EPHX2 (0.55) EPHX2KIF11GRM4CYP1A2
SCHEMBL30716972 0.76 GRM4 (0.49) BRD4GRM4CYP1A2CHRNB2CHRNA4
SCHEMBL12209283 0.76 GRM4 (0.49) BRD4GRM4CYP1A2CHRNB2CHRNA4
SCHEMBL5985206 0.75 MAPT (0.53) BRD4GRM4CYP1A2CHRNB2CHRNA4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 — — US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 — — US disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 — — US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 — — US disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 — — US disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 — — US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 — — US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 — — US disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 — — EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 — — EP disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 — — US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 — — US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 — — US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 — — 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 (5 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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 EPHX2 1764/4885BRD4 1165/4885KIF11 4297/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 EPHX2 2393/4885BRD4 717/4885KIF11 4391/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C EPHX2 4106/4885BRD4 728/4885KIF11 2615/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C EPHX2 3941/4885BRD4 712/4885KIF11 2695/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 EPHX2 1764/4885BRD4 1165/4885KIF11 4297/4885

“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.

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