SCHEMBL22957230

SCHEMBL22957230

CCOC(=O)C1CC[C@@H]2CCC1N2C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
PREP P48147 4/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 1/20 0.35
KCNH2 Q12809 1/20 0.35
NR1H2 P55055 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL22332139 1.00 CHRM1 (0.50) CHRM1CHRM2CHRM3PREPMEN1
SCHEMBL22332137 1.00 CHRM1 (0.50) CHRM1CHRM2CHRM3PREPMEN1
SCHEMBL20273204 1.00 CHRM1 (0.50) CHRM1CHRM2CHRM3PREPMEN1
SCHEMBL22837943 1.00 CHRM1 (0.50) CHRM1CHRM2CHRM3PREPMEN1
SCHEMBL22332138 1.00 CHRM1 (0.50) CHRM1CHRM2CHRM3PREPMEN1
SCHEMBL22837941 1.00 CHRM1 (0.50) CHRM1CHRM2CHRM3PREPMEN1
SCHEMBL17061265 0.93 CHRM1 (0.52) CHRM1CHRM2CHRM3PREPMEN1
SCHEMBL30994513 0.84 CHRM2 (0.54) CHRM1CHRM2CHRM3PREPHSD11B1
SCHEMBL15239715 0.84 CHRM2 (0.54) CHRM1CHRM2CHRM3PREPHSD11B1
SCHEMBL413955 0.84 CHRM2 (0.54) CHRM1CHRM2CHRM3PREPHSD11B1

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-10912775-B2 Crystal form of orexin receptor antagonist compound, and preparation method and application thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-02-09 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-10912775-B2 Crystal form of orexin receptor antagonist compound, and preparation method and application thereof HCRTR2, HCRTR1, NPY5R CHRM1 282/4885CHRM2 275/4885CHRM3 222/4885

“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.