SCHEMBL17802192

SCHEMBL17802192

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
OPRM1 P35372 3/20 0.35
OPRL1 P41146 2/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GRIN2B Q13224 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL19328305 1.00 YTHDC1 (0.38) YTHDC1SLC6A2SLC6A4NR1H2NR1H3
SCHEMBL26087402 0.87 YTHDC1 (0.41) YTHDC1SLC6A2SLC6A4OPRM1OPRL1
SCHEMBL19328321 0.87 YTHDC1 (0.41) YTHDC1SLC6A2SLC6A4OPRM1OPRL1
SCHEMBL17802166 0.87 YTHDC1 (0.41) YTHDC1SLC6A2SLC6A4OPRM1OPRL1
SCHEMBL21222550 0.84 YTHDC1 (0.39) YTHDC1SLC6A2SLC6A4OPRM1OPRL1
SCHEMBL21222548 0.84 YTHDC1 (0.39) YTHDC1SLC6A2SLC6A4OPRM1OPRL1
SCHEMBL17802160 0.82 SLC6A2 (0.43) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL17802159 0.82 SLC6A2 (0.43) YTHDC1SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL25486067 0.81 YTHDC1 (0.40) YTHDC1SLC6A2SLC6A4OPRM1OPRL1
SCHEMBL30230416 0.81 YTHDC1 (0.40) YTHDC1SLC6A2SLC6A4OPRM1OPRL1

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 16 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
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
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 WO 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 YTHDC1 4564/4885SLC6A2 2463/4885SLC6A4 4321/4885
US-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS YTHDC1 3834/4885SLC6A2 3652/4885SLC6A4 3079/4885

“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.