SCHEMBL3530195

SCHEMBL3530195

Cc1cccc(COC2CC3CCC(C2)N3C(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
GPR119 Q8TDV5 4/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRM5 P41594 2/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD11B1 P28845 1/20 0.39
GRIN2B Q13224 1/20 0.38
KDM1A O60341 1/20 0.38
SGPL1 O95470 1/20 0.38
S1PR1 P21453 1/20 0.38
TP53 P04637 1/20 0.38
ACSL1 P33121 1/20 0.37
TACR1 P25103 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
SCHEMBL3530192 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3GPR119OPRM1
SCHEMBL3519316 0.88 CHRM3 (0.46) CHRM2CHRM1CHRM3GPR119OPRM1
SCHEMBL3519319 0.88 CHRM3 (0.46) CHRM2CHRM1CHRM3GPR119OPRM1
SCHEMBL3118788 0.87 CHRM2 (0.52) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3520797 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3GPR119OPRM1
SCHEMBL3520800 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3GPR119OPRM1
SCHEMBL21858308 0.85 CHRM2 (0.43) CHRM2CHRM1CHRM3GPR119MAPT
SCHEMBL3522485 0.83 SLC6A2 (0.47) CHRM2CHRM1CHRM3GPR119KCNH2
SCHEMBL3522488 0.83 SLC6A2 (0.47) CHRM2CHRM1CHRM3GPR119KCNH2
SCHEMBL3518854 0.83 CHRM1 (0.50) CHRM2CHRM1CHRM3GPR119GRM5

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 12 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
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.