SCHEMBL6809830

SCHEMBL6809830

COC(=O)CN[C@@H](C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.57
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP3A4 P08684 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
SMPD1 P17405 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49

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
SCHEMBL2408156 1.00 APAF1 (0.57) APAF1CA12CA7CA9CA14
SCHEMBL2408159 1.00 APAF1 (0.57) APAF1CA12CA7CA9CA14
SCHEMBL1222340 0.90 MAPT (0.49) APAF1CA12CA7CA9CA14
SCHEMBL4676209 0.86 APAF1 (0.54) APAF1CA12CA7CA9CA14
SCHEMBL4676206 0.86 APAF1 (0.54) APAF1CA12CA7CA9CA14
SCHEMBL25297216 0.85 APAF1 (0.53) APAF1KMT2AMEN1CYP3A4CHRM2
SCHEMBL25831273 0.85 APAF1 (0.53) APAF1KMT2AMEN1CYP3A4CHRM2
SCHEMBL4680133 0.85 ALDH1A1 (0.53) APAF1KMT2AMEN1CYP3A4CHRM2
SCHEMBL13720968 0.84 ESR1 (0.45) APAF1CA12CA7CA9CA14
SCHEMBL22004286 0.84 MEN1 (0.43) APAF1KMT2AMEN1LMNAALDH1A1

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-3676263-B1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2021-10-06 EP disclosed
US-11053230-B2 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. 2021-07-06 US disclosed
US-10786491-B2 Immunomodulation by IAP inhibitors NOVARTIS AG (CH) 2020-09-29 US disclosed
EP-3676263-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Netherlands Translational Research Center B.V. (NL) 2020-07-08 EP disclosed
EP-3204359-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-01 EP disclosed
US-20200181128-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2020-06-11 US disclosed
EP-3426638-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2020-05-06 EP disclosed
WO-2019043103-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2019-03-07 WO disclosed
US-20190055213-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2019-02-21 US disclosed
EP-3426638-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Netherlands Translational Research Center B.V. (NL) 2019-01-16 EP disclosed
CN-109071457-A Inhibitors of indoleamine 2, 3-dioxygenase 荷兰转化研究中心有限责任公司 2018-12-21 CN disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 US disclosed
WO-2017153459-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2017-09-14 WO disclosed
US-9750729-B2 Immunomodulation by IAP inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-05 US disclosed
WO-2016055479-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 WO disclosed
EP-1076663-B1 FUNCTIONALIZED ALKYL AND ALKENYL SIDE CHAIN DERIVATIVES OF GLYCINAMIDES AS FARNESYL TRANSFERASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-18 EP disclosed
US-6369034-B1 FOR THERAPY OF CANCER, RESTENOSIS, AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-04-09 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 (5 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-20190055213-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH2 APAF1 2387/4885CA12 1631/4885CA7 2213/4885
US-10786491-B2 Immunomodulation by IAP inhibitors BIRC2, BIRC3, BIRC5 APAF1 12/4885CA12 2150/4885CA7 2123/4885
US-11053230-B2 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 APAF1 3028/4885CA12 2661/4885CA7 2751/4885
US-20170304292-A1 Tetrahydroisoquinoline Derivatives OPRD1, ADRA1D, GPR52 APAF1 4195/4885CA12 4866/4885CA7 4874/4885
US-20200181128-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 APAF1 3028/4885CA12 2661/4885CA7 2751/4885

“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.