SCHEMBL8894747

SCHEMBL8894747

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.49
PTGIR P43119 6/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ACKR3 P25106 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR5 P51681 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL15740441 1.00 YTHDC1 (0.49) YTHDC1PTGIRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL17802162 0.99 YTHDC1 (0.48) YTHDC1PTGIRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8906626 0.99 YTHDC1 (0.48) YTHDC1PTGIRMEN1KMT2AALDH1A1
SCHEMBL28722430 0.89 YTHDC1 (0.47) YTHDC1MEN1KMT2AALDH1A1ACKR3
SCHEMBL28722431 0.89 YTHDC1 (0.47) YTHDC1MEN1KMT2AALDH1A1ACKR3
SCHEMBL17802181 0.89 YTHDC1 (0.47) YTHDC1MEN1KMT2AALDH1A1ACKR3
SCHEMBL19328314 0.89 YTHDC1 (0.47) YTHDC1MEN1KMT2AALDH1A1ACKR3
SCHEMBL12761893 0.87 YTHDC1 (0.46) YTHDC1MEN1KMT2AALDH1A1SLC6A2
SCHEMBL21222203 0.87 YTHDC1 (0.46) YTHDC1MEN1KMT2AALDH1A1ACKR3
SCHEMBL21222207 0.87 YTHDC1 (0.46) YTHDC1MEN1KMT2AALDH1A1ACKR3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed
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
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
EP-3227275-B1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 EP 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
US-20110077231-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 US disclosed
US-20110077231-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 US disclosed
WO-2009021945-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025668-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US 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 (4 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-20110077231-A1 COMPOUNDS ABCG2, MCL1, AURKAIP1 YTHDC1 3174/4885PTGIR 4694/4885MEN1 1761/4885
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 YTHDC1 2832/4885PTGIR 11/4885MEN1 3899/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 YTHDC1 2832/4885PTGIR 11/4885MEN1 3899/4885
US-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS YTHDC1 3834/4885PTGIR 11/4885MEN1 4059/4885

“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.