SCHEMBL3520119

SCHEMBL3520119

CC(C)(C)OC(=O)N1C2CCC1CC(OCCCc1ccccc1F)C2

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
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 10/20 0.41
BTK Q06187 1/20 0.39
HSD11B1 P28845 1/20 0.37
KCNH2 Q12809 2/20 0.37
SCN5A Q14524 2/20 0.37
P2RX3 P56373 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
SCHEMBL3520117 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3MAPTSMN1; SMN2
SCHEMBL12094743 0.87 CHRM2 (0.48) CHRM2CHRM1CHRM3MAPTSMN1; SMN2
SCHEMBL3524959 0.83 CHRM2 (0.48) CHRM2CHRM1CHRM3MAPTSMN1; SMN2
SCHEMBL3524956 0.83 CHRM2 (0.48) CHRM2CHRM1CHRM3MAPTSMN1; SMN2
SCHEMBL12094662 0.79 CHRM2 (0.57) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL12012206 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3520437 0.78 CHRM2 (0.48) CHRM2CHRM1CHRM3MAPTSMN1; SMN2
SCHEMBL3520436 0.78 CHRM2 (0.48) CHRM2CHRM1CHRM3MAPTSMN1; SMN2
SCHEMBL3519879 0.78 CHRM2 (0.50) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3519876 0.78 CHRM2 (0.50) CHRM2CHRM1CHRM3GPR119HSD11B1

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 10 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-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
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
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 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
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US 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 CHRM2 149/4885CHRM1 135/4885CHRM3 315/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 CHRM2 149/4885CHRM1 135/4885CHRM3 315/4885

“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.