SCHEMBL3519879

SCHEMBL3519879

CCc1ccccc1COC1CC2CCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
GPR119 Q8TDV5 9/20 0.44
HSD11B1 P28845 1/20 0.41
PREP P48147 2/20 0.39
TSHR P16473 1/20 0.38
ABCB1 P08183 1/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNB1 Q02641 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
SCHEMBL3519876 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3520436 0.91 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3520437 0.91 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3519860 0.89 CHRM1 (0.49) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3519864 0.89 CHRM1 (0.49) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL12094743 0.88 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3524549 0.88 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3524547 0.88 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3524579 0.85 CHRM2 (0.45) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL3524578 0.85 CHRM2 (0.45) 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.