Sugi Predict

Sugi Predict / Compounds / SCHEMBL17320989

SCHEMBL17320989

SCHEMBL17320989

COC(=O)C1(C)CCc2cc(Br)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SI P14410 2/20 0.39
▸ MGAM2 Q2M2H8 2/20 0.39
▸ RXRA P19793 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ PPARG P37231 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ COXFA4 O00483 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ BCL2 P10415 1/20 0.33

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
SCHEMBL22798929 0.85 PPARA (0.44) RXRAPPARAPPARG
SCHEMBL19469539 0.84 GAA (0.39) MGAMGAASIMGAM2RXRA
SCHEMBL13903650 0.78 HIF1A (0.39) GAANPSR1KDM4EMAPTPOLB
SCHEMBL20819443 0.77 PPARA (0.37) SMN1; SMN2PPARAPPARGMEN1ALDH1A1
SCHEMBL6798457 0.77 SOD1 (0.44) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL6798455 0.77 SOD1 (0.44) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL6799093 0.77 SOD1 (0.44) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL13913065 0.76 PPARA (0.43) RXRAPPARAPPARGKDM4EFAAH
SCHEMBL23618135 0.75 BCHE (0.43) MGAMGAASIMGAM2RXRA
SCHEMBL4769228 0.75 ALDH1A1 (0.39) GAANPSR1PPARAKDM4EMAPT

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
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — US 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 MGAM 4109/4885GAA 243/4885SI 1961/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MGAM 4251/4885GAA 181/4885SI 2138/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 MGAM 4109/4885GAA 243/4885SI 1961/4885

“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.