SCHEMBL16409353

SCHEMBL16409353

c1ccc(C2(C3CCCCC3)CO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.57
CHRM4 P08173 9/20 0.57
CHRM5 P08912 9/20 0.57
CHRM1 P11229 9/20 0.57
CHRM3 P20309 9/20 0.57
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL1690206 0.98 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19308438 0.98 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409291 0.94 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409282 0.90 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8040886 0.86 GRIN1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10875957 0.81 GRIN1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409437 0.77 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409436 0.77 SLC6A3 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7837194 0.77 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10585518 0.75 GRIN1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751875-B2 Quinine compounds, and optical isomers, preparation method and medical use thereof BEIJING FSWELCOME TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2017-09-05 US disclosed
US-9751875-B2 Quinine compounds, and optical isomers, preparation method and medical use thereof BEIJING FSWELCOME TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2017-09-05 US disclosed
US-20160244439-A1 QUININE COMPOUNDS, AND OPTICAL ISOMERS, PREPARATION METHOD AND MEDICAL USE THEREOF BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
US-20160244439-A1 QUININE COMPOUNDS, AND OPTICAL ISOMERS, PREPARATION METHOD AND MEDICAL USE THEREOF BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2016-08-25 US disclosed
EP-3023424-A1 QUININE COMPOUNDS, AND OPTICAL ISOMERS, PREPARATION METHOD AND MEDICAL USE THEREOF Beijing Fswelcome Technology Development Co., Ltd (CN) 2016-05-25 EP disclosed
WO-2015007073-A1 QUININE COMPOUNDS, AND OPTICAL ISOMERS, PREPARATION METHOD AND MEDICAL USE THEREOF 北京市丰硕维康技术开发有限责任公司 (CN) 2015-01-22 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 (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-20160244439-A1 QUININE COMPOUNDS, AND OPTICAL ISOMERS, PREPARATION METHOD AND MEDICAL USE THEREOF CHRM1, CHRM2, CHRM3 CHRM2 2/4885CHRM4 7/4885CHRM5 4/4885

“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.