SCHEMBL3517523

SCHEMBL3517523

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](OCc1c(F)cccc1-c1cnccn1)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 15/20 0.41
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL3517524 1.00 GPR119 (0.41) GPR119HCRTR1HCRTR2BTKCHRM2
SCHEMBL3520011 0.86 GPR119 (0.44) GPR119BTKCHRM2CHRM1CHRM3
SCHEMBL3520014 0.86 GPR119 (0.44) GPR119BTKCHRM2CHRM1CHRM3
SCHEMBL12012206 0.84 CHRM2 (0.49) GPR119CHRM2CHRM1CHRM3
SCHEMBL3519667 0.83 CHRM2 (0.42) GPR119BTKCHRM2CHRM1CHRM3
SCHEMBL3519671 0.83 CHRM2 (0.42) GPR119BTKCHRM2CHRM1CHRM3
SCHEMBL3520222 0.80 CHRM2 (0.45) GPR119CHRM2CHRM1CHRM3JAK2
SCHEMBL3520227 0.80 CHRM2 (0.45) GPR119CHRM2CHRM1CHRM3JAK2
SCHEMBL3520871 0.80 CHRM2 (0.44) GPR119CHRM2CHRM1CHRM3
SCHEMBL3520875 0.80 CHRM2 (0.44) GPR119CHRM2CHRM1CHRM3

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-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 — — US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 — — US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 — — EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — 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 (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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 GPR119 434/4885HCRTR1 77/4885HCRTR2 97/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 GPR119 434/4885HCRTR1 77/4885HCRTR2 97/4885

“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.

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