SCHEMBL24860259

SCHEMBL24860259

CC1CCC(=O)c2cncn21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
CYP19A1 P11511 2/20 0.33
IDO1 P14902 6/20 0.32
TDO2 P48775 5/20 0.32
CYP3A4 P08684 3/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL22833740 0.73
SCHEMBL14769012 0.72 CYP19A1 (0.43) CYP19A1IDO1TDO2CYP3A4CYP11B1
SCHEMBL24934617 0.70 RPS6KA2 (0.37) CYP3A4CYP2D6
SCHEMBL22703075 0.69 ACHE (0.33) CYP19A1CHRM2CHRM4CHRM1
SCHEMBL12810523 0.69 ACHE (0.33) CYP19A1CHRM2CHRM4CHRM1
SCHEMBL24860311 0.69
SCHEMBL24934538 0.69
SCHEMBL20503156 0.68 GAA (0.33)
SCHEMBL1932876 0.67 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL24934662 0.67 CYP11B1 (0.34) HSP90AA1HSP90AB1IDO1TDO2CYP3A4

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
CN-115151543-B Fused tricyclic compounds and medical uses thereof 日本烟草产业株式会社 2024-12-17 CN disclosed
US-20230025880-A1 FUSED TRICYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
US-20230025880-A1 FUSED TRICYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
EP-4116301-A1 FUSED TRICYCLIC COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 2023-01-11 EP disclosed
CN-115151543-A Fused tricyclic compounds and medical use thereof 日本烟草产业株式会社 2022-10-04 CN 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-20230025880-A1 FUSED TRICYCLIC COMPOUND AND MEDICINAL USE THEREOF PC, PCK2, AGK HSP90AA1 2793/4885HSP90AB1 2514/4885CYP19A1 1570/4885

“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.