Sugi Predict

Sugi Predict / Compounds / SCHEMBL6705778

SCHEMBL6705778

SCHEMBL6705778

CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA3 P42263 1/20 0.73
▸ GRIA4 P48058 1/20 0.73
▸ ALDH1A1 P00352 12/20 0.69
▸ TSHR P16473 1/20 0.69
▸ KMT2A Q03164 5/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ CRHBP P24387 1/20 0.66
▸ CRHR2 Q13324 1/20 0.66
▸ POLB P06746 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MAPT P10636 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.57
▸ USP2 O75604 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ ALOX15 P16050 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55

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
SCHEMBL6705709 0.84 GRIA3 (1.00) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL6707588 0.83 MAPT (0.65) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL6705726 0.83 ALDH1A1 (0.81) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL6705949 0.83 ALDH1A1 (0.81) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL28669991 0.82 ALDH1A1 (0.79) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL6706698 0.82 ALDH1A1 (0.79) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL6706803 0.82 ALDH1A1 (0.79) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL6706684 0.82 ALDH1A1 (0.79) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL6705746 0.82 ALDH1A1 (1.00) GRIA3GRIA4ALDH1A1TSHRKMT2A
SCHEMBL28649237 0.81 ALDH1A1 (0.78) GRIA3GRIA4ALDH1A1TSHRKMT2A

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-6800657-B2 TREATING DISORDER RESPONSIVE TO POSITIVE MODULATION OF AMPA RECEPTORS IN ANIMALS EURO-CELTIQUE S.A. (LU) 2004-10-05 — — US disclosed
US-20040097581-A1 SUBSTITUTED 5-OXO-5, 6, 7, 8-TETRAHYDRO-4H-1-BENZOPYRANS KONKOY CHRISTOPHER S (US) 2004-05-20 — — US disclosed
US-6680332-B1 NEURODEGENERATIVE, ALZHEIMER*S, PARKINSON*S, AND HUNTINGTON*S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS, AIDS-ASSOCIATED DEMENTIA, DOWN SYNDROME AND SCHIZOPHRENIA EURO-CELTIQUE S.A. (LU) 2004-01-20 — — US disclosed
EP-1189896-A1 SUBSTITUTED 5-OXO-5,6,7,8-TETRAHYDRO-4H-1-BENZOPYRANS AND BENZOTHIOPYRANS AND THE USE THEREOF AS POTENTIATORS OF AMPA Euro-Celtique S.A. (LU) 2002-03-27 — — EP disclosed
WO-2000075123-A1 SUBSTITUTED 5-OXO-5,6,7,8-TETRAHYDRO-4H-1-BENZOPYRANS AND BENZOTHIOPYRANS AND THE USE THEREOF AS POTENTIATORS OF AMPA EURO-CELTIQUE S.A. (LU) 2000-12-14 — — WO 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-20040097581-A1 SUBSTITUTED 5-OXO-5, 6, 7, 8-TETRAHYDRO-4H-1-BENZOPYRANS GRIN3A, GRIN1, CHRNA6 GRIA3 42/4885GRIA4 27/4885ALDH1A1 2597/4885

“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.