SCHEMBL17212177

SCHEMBL17212177

COC(=O)c1ccc(-c2ccnnc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ SETD7 Q8WTS6 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL17212178 0.82 ALDH1A1 (0.54) MEN1KMT2AALDH1A1TDP1NPSR1
SCHEMBL5735703 0.82 ABL1 (0.52) HTTSETD7MEN1CYP1A2KMT2A
SCHEMBL17212160 0.80 ALDH1A1 (0.53) CYP1A2CYP2C19ALDH1A1KDM4ELMNA
SCHEMBL21981938 0.79 HTT (0.67) HTTSETD7MEN1CYP1A2KMT2A
SCHEMBL17212163 0.78 HTT (0.49) HTTSETD7MEN1CYP1A2KMT2A
SCHEMBL16896434 0.76 HTT (0.47) HTTSETD7MEN1CYP1A2KMT2A
SCHEMBL3059132 0.75 ALDH1A1 (0.62) HTTSETD7MEN1CYP1A2KMT2A
SCHEMBL4943742 0.73 HTT (0.51) HTTSETD7MEN1CYP1A2KMT2A
SCHEMBL69791 0.73 HTT (0.69) HTTSETD7MEN1CYP1A2KMT2A
SCHEMBL25002899 0.72 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 — — WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 — — US disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 — — 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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT HTT 579/4885SETD7 4309/4885MEN1 4699/4885

“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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