SCHEMBL6367295

SCHEMBL6367295

CC(C)(C)OC(=O)N1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PREP P48147 5/20 0.41
GPR119 Q8TDV5 3/20 0.36
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 1/20 0.36
NR1H2 P55055 1/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 2/20 0.34
DPP4 P27487 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
SCHEMBL241566 0.97 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL241567 0.97 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL12684291 0.97 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL6696679 0.88 PREP (0.40) CHRM2CHRM1CHRM3PREPHPGD
SCHEMBL1336739 0.87 CHRM2 (0.45) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL8337646 0.87 CHRM2 (0.45) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL8313247 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL15116700 0.87 CHRM2 (0.45) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL4795338 0.87 CHRM2 (0.45) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL3050914 0.87 CHRM2 (0.45) CHRM2CHRM1CHRM3PREPGPR119

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
WO-2017076187-A1 1,4(1,4)-DIPHENYLHEXACYCLOPHANE-12,43-DIYL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2017-05-11 WO disclosed
US-20050143427-A1 [B]-fused bicyclic proline derivatives and their use for treating arthritic conditions BARVIAN NICOLE C (US) 2005-06-30 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-20050143427-A1 [B]-fused bicyclic proline derivatives and their use for treating arthritic conditions PRAP1, PRR12, PPIB CHRM2 4822/4885CHRM1 4803/4885CHRM3 4830/4885

“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.