SCHEMBL20299282

SCHEMBL20299282

CC1(C)CCC(C2(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 1/20 0.31
THPO P40225 1/20 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
SCHEMBL20054555 0.84 CYP3A4 (0.44) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL2318788 0.82 TSHR (0.32) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL20054736 0.81 USP2 (0.39) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL15897420 0.80 LMNA (0.33) LMNATSHRMAPK1
SCHEMBL15897448 0.79 MAPK1 (0.33) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL6651445 0.77 TSHR (0.31) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL2320236 0.77 CYP4F2 (0.42)
SCHEMBL14699482 0.76
SCHEMBL20935389 0.73 ALDH1A1 (0.45) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL20299258 0.72 FFAR3 (0.39) CYP3A4LMNACYP2D6CYP2C9THPO

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
EP-3558972-A1 TETRAZOLE CONTAINING COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2019-10-30 EP disclosed
WO-2018114783-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-28 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 CHRM2 3332/4885CHRM1 2647/4885CHRM3 2208/4885

“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.