SCHEMBL22691990

SCHEMBL22691990

O=C(O)C1CC[C@@]2(CCc3c(F)cccc3C2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.37
DRD3 P35462 8/20 0.37
ADRA2A P08913 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
SRD5A1 P18405 1/20 0.30

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
SCHEMBL22692088 1.00 DRD2 (0.37) DRD2DRD3ADRA2ARXRARXRB
SCHEMBL22709595 0.86 DRD2 (0.37) DRD2DRD3ADRA2A
SCHEMBL29423749 0.86 DRD2 (0.37) DRD2DRD3ADRA2A
SCHEMBL22709130 0.86 DRD2 (0.37) DRD2DRD3ADRA2A
SCHEMBL22692006 0.82 SIGMAR1 (0.40) ADRA2A
Ethylene SCHEMBL11704541 0.70 ADRA2A (0.43) DRD2DRD3ADRA2ASRD5A1
SCHEMBL22692100 0.70 SIGMAR1 (0.40) ADRA2A
SCHEMBL22692123 0.68 NOTUM (0.34)
SCHEMBL29423684 0.68 HTR1A (0.35)
SCHEMBL6505565 0.67 GRM8 (0.33)

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-20220227738-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-21 US disclosed
WO-2022115439-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-02 WO disclosed
EP-3972978-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-03-30 EP disclosed
WO-2020236940-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-11-26 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-20220227738-A1 KRAS G12C INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS DRD2 4855/4885DRD3 4845/4885ADRA2A 4789/4885

“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.