SCHEMBL13517547

SCHEMBL13517547

O=C(OCc1cccc(F)c1)C1CN2CCC1CC2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 7/20 0.51
▸ CHRM1 P11229 7/20 0.51
▸ CHRM3 P20309 7/20 0.51
▸ GRIN2B Q13224 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ CHRM5 P08912 4/20 0.44
▸ MAOB P27338 4/20 0.43
▸ MAOA P21397 3/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL227223 0.81 CHRM3 (0.62) CHRM2CHRM1CHRM3CHRM5
SCHEMBL227222 0.81 CHRM3 (0.62) CHRM2CHRM1CHRM3CHRM5
SCHEMBL28099409 0.77 GLA (0.48) CHRM2CHRM1CHRM3CHRM5GAA
SCHEMBL13517126 0.76 CHRM3 (0.41) CHRM2CHRM1CHRM3GAA
SCHEMBL3218365 0.76 CHRM2 (0.56) CHRM2CHRM1CHRM3TACR1
SCHEMBL3218353 0.76 CHRM2 (0.56) CHRM2CHRM1CHRM3TACR1
Bromide SCHEMBL13729968 0.75 CHRM3 (0.41) CHRM2CHRM1CHRM3GAA
SCHEMBL14808748 0.74 ALDH1A1 (0.56) CHRM2CHRM1CHRM3GAA
SCHEMBL27989822 0.72 FKBP1A (0.53) GRIN2BHCAR2MAOBMAOA
SCHEMBL11194253 0.72 HCAR2 (0.55) GRIN2BHCAR2MAOBMAOAMMP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502213-B Alkaloid ester and carbamate derivatives thereof and medicinal compositions 奇斯药制品公司 2016-09-28 — — CN claimed
CN-103502213-B Alkaloid ester and carbamate derivatives thereof and medicinal compositions 奇斯药制品公司 2016-09-28 — — CN disclosed
EP-2702041-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2014-03-05 — — EP disclosed
US-8604015-B2 Alkaloid ester and carbamate derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-12-10 — — US disclosed
WO-2012146515-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 — — WO disclosed
US-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 — — US disclosed
US-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 — — US disclosed
US-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 — — 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 (1 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-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, BCHE, CHRM1 CHRM2 4/4885CHRM1 3/4885CHRM3 1/4885

“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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