SCHEMBL21733468

SCHEMBL21733468

O=C1CCCC(c2cccc3c2CCC3)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
MAPT P10636 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
IKBKB O14920 1/20 0.36
HTT P42858 1/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL18828495 0.79 HTR1A (0.50) HTR1AHTR7TAS1R3TAS1R1TAS1R2
SCHEMBL30285578 0.76 HTR1A (0.55) HTR1AHTR7TAS1R3TAS1R1TAS1R2
SCHEMBL21590061 0.76 HTR1A (0.55) HTR1AHTR7TAS1R3TAS1R1TAS1R2
SCHEMBL28608577 0.76 HTR2C (0.47) MAPTTAS1R3TAS1R1TAS1R2IKBKB
SCHEMBL21733883 0.75 NISCH (0.37) HTR1AHTR7TAS1R3TAS1R1TAS1R2
SCHEMBL19524597 0.74 MAPT (0.50) MAPTALDH1A1
SCHEMBL17996703 0.73 MTNR1A (0.53) MAPTIKBKBIDO1ALDH1A1
SCHEMBL3241051 0.72 TP53 (0.64) HTR1AMAPTTAS1R3TAS1R1TAS1R2
Dimethylamine SCHEMBL6541566 0.71 HTR1A (0.54) HTR1AHTR7TAS1R3TAS1R1TAS1R2
Dimethylamine SCHEMBL6542138 0.71 HTR1A (0.50) HTR1AHTR7TAS1R3TAS1R1TAS1R2

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 HTR1A 4771/4885HTR7 4535/4885MAPT 3269/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS HTR1A 4771/4885HTR7 4535/4885MAPT 3269/4885

“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.