SCHEMBL2688261

SCHEMBL2688261

CC(=O)OC1CC[C@@H](C)C2C(C(C)=O)CCC12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.35
CHRM1 P11229 3/20 0.35
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP2C19 P33261 1/20 0.31
TSHR P16473 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
SCHEMBL2688262 1.00 CHRM2 (0.35) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL2688263 1.00 CHRM2 (0.35) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL6898147 0.81 CHRM2 (0.35) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL19725575 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL13820561 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL2689882 0.77 PPM1D (0.34)
SCHEMBL2689885 0.77 PPM1D (0.34)
SCHEMBL17807032 0.75 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL22006156 0.75 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL28522654 0.75 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327354-A1 Unnatural Analogues of Calcitriol and Uses Thereof VIDASYM, LLC 2018-11-15 US disclosed
US-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VIDASYM, LLC (US) 2012-05-10 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 (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-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VDR, CYP2R1, CYP24A1 CHRM2 957/4885CHRM1 1081/4885CHRM4 1852/4885
US-20180327354-A1 Unnatural Analogues of Calcitriol and Uses Thereof VDR, CYP2R1, CYP24A1 CHRM2 1705/4885CHRM1 1912/4885CHRM4 3113/4885

“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.