SCHEMBL21733883

SCHEMBL21733883

CC1CCC(=O)CC1c1cccc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TBXA2R P21731 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
SRD5A1 P18405 2/20 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
SCHEMBL21733468 0.75 HTR1A (0.44) HTR1AHTR7TAS1R3TAS1R1TAS1R2
SCHEMBL9419080 0.73 MEN1 (0.42) TAS1R3TAS1R1TAS1R2
SCHEMBL21733882 0.69 NR1D1 (0.42) KDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL18828495 0.69 HTR1A (0.50) NISCHHTR1AHTR7TAS1R3TAS1R1
SCHEMBL9861862 0.67 BCL2L1 (0.44) TAS1R3TAS1R1TAS1R2BCL2L1BAD
SCHEMBL9419092 0.65 ESR2 (0.43) L3MBTL1
SCHEMBL7604110 0.64 CHRM3 (0.56) HTR1AHTR7
SCHEMBL11653286 0.64 SRD5A1 (0.43) SRD5A1
SCHEMBL7993604 0.64 SIGMAR1 (0.41) SRD5A1
SCHEMBL7706950 0.64 SIGMAR1 (0.47) SRD5A1

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-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS NISCH 4216/4885HTR1A 4771/4885HTR7 4535/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS NISCH 4216/4885HTR1A 4771/4885HTR7 4535/4885

“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.