SCHEMBL20006824

SCHEMBL20006824

CC(C)C1CCN(CC2CCC(O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
SHBG P04278 1/20 0.39
CHRM5 P08912 1/20 0.36
ADRA2C P18825 1/20 0.36
TYRO3 Q06418 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL680627 0.90 ACHE (0.47) ACHECHRM5ADRA2COPRD1OPRK1
SCHEMBL27425161 0.88 ACHE (0.45) ACHECHRM5ADRA2COPRD1OPRK1
SCHEMBL26157383 0.83 ACHE (0.55) ACHECHRM5ADRA2COPRD1OPRK1
SCHEMBL23484704 0.83 ACHE (0.55) ACHECHRM5ADRA2COPRD1OPRK1
SCHEMBL22875430 0.82 ACHE (0.59) ACHECHRM5ADRA2COPRD1OPRK1
SCHEMBL17108656 0.82 ACHE (0.53) ACHECHRM5ADRA2COPRD1OPRK1
SCHEMBL14708016 0.82 OPRL1 (0.40) ACHEOPRD1OPRK1OPRL1
SCHEMBL10216738 0.82 OPRL1 (0.40) ACHEOPRD1OPRK1OPRL1
SCHEMBL10216732 0.82 OPRL1 (0.40) ACHEOPRD1OPRK1OPRL1
SCHEMBL21947721 0.81 ACHE (0.40) ACHECHRM5ADRA2COPRD1OPRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 US 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-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA ACHE 4376/4885SHBG 722/4885CHRM5 3440/4885

“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.