SCHEMBL16409293

SCHEMBL16409293

c1ccc2c(C3(C4CCCC4)CO3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.50
SLC6A4 P31645 7/20 0.50
SLC6A2 P23975 6/20 0.50
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL16409360 0.76 CRHBP (0.38) SLC6A4
SCHEMBL38665848 0.74 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL19308438 0.71 CHRM2 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL1690206 0.71 CHRM2 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL16409291 0.67 CHRM2 (0.51) SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL21590062 0.67 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL3158219 0.67 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2MAPK1
SCHEMBL16409282 0.66 CHRM2 (0.47) SLC6A3SLC6A2
SCHEMBL11742168 0.66 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL10453624 0.66 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2KDM4EMEN1

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 SLC6A3 1379/4885SLC6A4 1550/4885SLC6A2 2190/4885

“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.