SCHEMBL22095112

SCHEMBL22095112

Cc1nc2ccc(CO)cc2cc1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 4/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PSMB5 P28074 3/20 0.38
▸ PDE10A Q9Y233 2/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KLKB1 P03952 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL20043088 0.76 STAT3 (0.50) PDE10AKMT2A
SCHEMBL22095064 0.75 CYSLTR1 (0.40) GABRA1GABRB2HSD17B10PDE10A
SCHEMBL18369635 0.74 PDE2A (0.46) GRM1HSD17B10PSMB5PDE10APDE2A
SCHEMBL22095341 0.73 GRM1 (0.47) GRM1HSD17B10
SCHEMBL10088547 0.72 GABRA1 (0.47) GABRA1GABRB2HSD17B10
SCHEMBL14137820 0.71 KMT2A (0.50) HSD17B10MEN1KMT2A
SCHEMBL3437609 0.71 HSD17B10 (0.53) HSD17B10PDE10APDE2AMEN1KMT2A
SCHEMBL25820094 0.70 SLC22A12 (0.42) GABRA1GABRB2MAOADYRK1A
SCHEMBL554539 0.68 CYP1A2 (0.57) HSD17B10PDE10APDE2A
SCHEMBL31428884 0.68 CYP1A2 (0.57) HSD17B10PDE10APDE2A

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-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-05-06 — — US disclosed
US-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 — — US disclosed
US-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 — — US disclosed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 — — WO disclosed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 — — 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 (2 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-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 SULT1A1, SULT2A1, SULT1E1 GRM1 4114/4885GABRA1 1546/4885GABRB2 1430/4885
US-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 SULT1A1, SULT2A1, SULT1E1 GRM1 4114/4885GABRA1 1546/4885GABRB2 1430/4885

“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.

Send feedback