SCHEMBL20410

SCHEMBL20410

COC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.43
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
KDM1A O60341 1/20 0.41
PDE8B O95263 1/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL1779025 1.00 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL863388 1.00 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL1046911 0.96 KDM1A (0.44) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL1050048 0.96 KDM1A (0.44) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL79593 0.96 KDM1A (0.44) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL29039374 0.91 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10NPC1ALDH1A1ATM
SCHEMBL11995197 0.91 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10NPC1ALDH1A1ATM
SCHEMBL27426143 0.91 HSD17B10 (0.47) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL24876030 0.87 PDE8B (0.46) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1
SCHEMBL23951039 0.87 PDE8B (0.46) SMN1; SMN2HSD17B10NPC1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-03-26 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed
EP-4157850-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
CN-112442029-A Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine 四川海思科制药有限公司 2021-03-05 CN disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
US-7361663-B2 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. (US) 2008-04-22 US disclosed
EP-1263726-B1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-26 EP disclosed
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
US-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. 2003-05-15 US disclosed
EP-1263726-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2002-12-11 EP disclosed
WO-2001034567-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-17 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 (6 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-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 SMN1; SMN2 2944/4885HSD17B10 3221/4885NPC1 2752/4885
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 SMN1; SMN2 2867/4885HSD17B10 143/4885NPC1 684/4885
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 SMN1; SMN2 2944/4885HSD17B10 3221/4885NPC1 2752/4885
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 SMN1; SMN2 3198/4885HSD17B10 3131/4885NPC1 2960/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 SMN1; SMN2 3089/4885HSD17B10 2913/4885NPC1 2366/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 SMN1; SMN2 2787/4885HSD17B10 155/4885NPC1 650/4885

“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.