SCHEMBL22709595

SCHEMBL22709595

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.37
DRD3 P35462 6/20 0.37
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
HTR1A P08908 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
RORC P51449 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL29423749 1.00 DRD2 (0.37) DRD2DRD3MTNR1AMTNR1BHTR1A
SCHEMBL22709130 1.00 DRD2 (0.37) DRD2DRD3MTNR1AMTNR1BHTR1A
SCHEMBL22692088 0.86 DRD2 (0.37) DRD2DRD3ADRA2A
SCHEMBL22691990 0.86 DRD2 (0.37) DRD2DRD3ADRA2A
SCHEMBL29423684 0.83 HTR1A (0.35) MTNR1AMTNR1BHTR1ACYP1A2CYP2C9
SCHEMBL23385946 0.81 CYP1A2 (0.36) HTR1ACYP1A2CYP2C9PIN1
SCHEMBL29656734 0.81 CYP1A2 (0.36) HTR1ACYP1A2CYP2C9PIN1
SCHEMBL22709889 0.72 HCN1 (0.36) HTR1APSEN1PSEN2APH1BNCSTN
SCHEMBL29423697 0.72 HCN1 (0.36) HTR1APSEN1PSEN2APH1BNCSTN
SCHEMBL22709616 0.72 MTNR1A (0.33) MTNR1AMTNR1BMAPT

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 3 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
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 4845/4885MTNR1A 4237/4885

“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.