SCHEMBL17763543

SCHEMBL17763543

O=C(c1ccccc1-c1cccnc1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL10968862 0.77 HTT (0.54) KMT2AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL5647289 0.76 HPGD (0.56) KMT2AHTTGAAALDH1A1MEN1
SCHEMBL29504659 0.76 HTT (0.56) KMT2AHTTGAAALDH1A1LMNA
SCHEMBL1173860 0.76 HTT (0.56) KMT2AHTTGAAALDH1A1LMNA
SCHEMBL30335331 0.76 HTT (0.56) KMT2AHTTGAAALDH1A1LMNA
SCHEMBL2457558 0.76 HTT (0.52) KMT2AHTTALDH1A1SMN1; SMN2MKNK1
SCHEMBL10175121 0.75 SLC6A4 (0.51) KDM2BKMT2AGAAALDH1A1NPSR1
SCHEMBL9665275 0.74 SLC18A3 (0.56) HDAC1KMT2AHTTGAAALDH1A1
SCHEMBL31227976 0.74 BCAT2 (0.67) KMT2AHTTMKNK1MKNK2CYP2A6
SCHEMBL167082 0.74 BCAT2 (0.67) KMT2AHTTMKNK1MKNK2CYP2A6

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 3 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-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

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 KDM2B 3958/4885HDAC3 1892/4885HDAC1 3204/4885

“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.