SCHEMBL17802185

SCHEMBL17802185

CC(C)C(O)CO[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
YTHDC1 Q96MU7 1/20 0.40
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 1/20 0.36
GRIN2B Q13224 1/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL17802184 1.00 SLC6A2 (0.45) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL18987713 0.92 SLC6A2 (0.47) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL23812847 0.92 SLC6A2 (0.47) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL17802206 0.84 SLC6A2 (0.45) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL17802208 0.84 SLC6A2 (0.45) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL21222622 0.83 YTHDC1 (0.40) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL21222621 0.83 YTHDC1 (0.40) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL21227814 0.81 SLC6A2 (0.40) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL31484645 0.81 SLC6A2 (0.49) SLC6A2SLC6A4YTHDC1KMT2AMEN1
SCHEMBL25486005 0.80 YTHDC1 (0.47) SLC6A2SLC6A4YTHDC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 US disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 US disclosed
EP-3227275-B1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 EP disclosed
EP-3227275-B1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 EP disclosed
EP-3390384-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS Astex Therapeutics Limited (GB) 2018-10-24 EP disclosed
US-9840496-B2 CD38 inhibitors and methods of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-12 US disclosed
US-9840496-B2 CD38 inhibitors and methods of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-12 US disclosed
US-9840496-B2 CD38 inhibitors and methods of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-12 US disclosed
EP-3227275-A1 CD38 INHIBITORS AND METHODS OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-10-11 EP disclosed
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-09-14 US disclosed
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-09-14 US disclosed
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-09-14 US disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 WO disclosed
WO-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 WO disclosed
WO-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 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 (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-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT CD38, NQO1, NADK SLC6A2 2463/4885SLC6A4 4321/4885YTHDC1 4564/4885
US-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS SLC6A2 3652/4885SLC6A4 3079/4885YTHDC1 3834/4885

“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.