SCHEMBL3522970

SCHEMBL3522970

CC(C)(C)OC(=O)N1C2CCC1CC(OCc1ccsc1)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.48
CHRM1 P11229 4/20 0.48
CHRM3 P20309 4/20 0.48
HSD11B1 P28845 1/20 0.42
GPR119 Q8TDV5 9/20 0.41
PREP P48147 1/20 0.37
TP53 P04637 2/20 0.37
JAK1 P23458 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3522969 1.00 CHRM2 (0.48) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3118788 0.83 CHRM2 (0.52) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3520797 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3520800 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3522429 0.81 CHRM2 (0.50) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3522432 0.81 CHRM2 (0.50) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3530195 0.79 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3530192 0.79 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3519319 0.78 CHRM3 (0.46) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3519316 0.78 CHRM3 (0.46) CHRM2CHRM1CHRM3HSD11B1GPR119

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 11 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
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO 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.