SCHEMBL17324189

SCHEMBL17324189

CS(=O)(=O)OCc1coc2ccc(C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.40
▸ TP53 P04637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PPARD Q03181 3/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ KIF11 P52732 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ AKR1B1 P15121 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
SCHEMBL15898873 0.90 PPARD (0.45) TP53MAPTSMN1; SMN2PPARDPPARA
SCHEMBL15898881 0.82 MTNR1A (0.46) MTNR1AMTNR1BKIF11
SCHEMBL17321017 0.81 THRB (0.46) MTNR1ATP53MAPTSMN1; SMN2THRB
SCHEMBL21116465 0.80 TP53 (0.46) MTNR1ATP53MAPTSMN1; SMN2PPARD
SCHEMBL17321014 0.80 PDE10A (0.43) MTNR1ATP53MAPTMAOBMTNR1B
SCHEMBL15898930 0.78 KIF11 (0.33) MTNR1ATP53MAPTPPARDPPARA
SCHEMBL15898910 0.78 KIF11 (0.33) MTNR1ATP53MAPTPPARDPPARA
SCHEMBL15898945 0.75 EPHX2 (0.45) MAPTSMN1; SMN2MAOBKMT2AAKR1B1
SCHEMBL19409499 0.75 IDO1 (0.58) MAPTKMT2A
SCHEMBL21116466 0.75 TP53 (0.46) MTNR1ATP53MAPTSMN1; SMN2MAOB

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-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
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 — — EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — 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 (3 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 MTNR1A 1307/4885TP53 1810/4885MAPT 1082/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MTNR1A 1805/4885TP53 2461/4885MAPT 828/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 MTNR1A 1307/4885TP53 1810/4885MAPT 1082/4885

“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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