SCHEMBL9994136

SCHEMBL9994136

CC(C)(C)OC(=O)N1CCC2(CC1)CC2NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
STS P08842 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
YAP1 P46937 1/20 0.45
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BACE1 P56817 1/20 0.44
TACR1 P25103 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
KDM1A O60341 1/20 0.44
P2RX7 Q99572 2/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL29364160 0.92 SMN1; SMN2 (0.47) NAMPTOPRD1OPRK1STSMEN1
SCHEMBL8326625 0.92 SMN1; SMN2 (0.47) NAMPTOPRD1OPRK1STSMEN1
SCHEMBL18860228 0.92 SMN1; SMN2 (0.47) NAMPTOPRD1OPRK1STSMEN1
SCHEMBL19995750 0.91 STS (0.48) NAMPTOPRD1OPRK1STSMEN1
SCHEMBL19995715 0.89 STS (0.46) NAMPTOPRD1OPRK1STSMEN1
SCHEMBL6947042 0.86 PDE4B (0.44) NAMPTOPRD1OPRK1MEN1KMT2A
SCHEMBL9994911 0.86 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL29179859 0.85 ENPP2 (0.48) OPRD1OPRK1STSMEN1KMT2A
SCHEMBL21851881 0.85 KDM1A (0.53) OPRD1OPRK1STSMEN1KMT2A
SCHEMBL23159871 0.84 DPP4 (0.45) OPRD1OPRK1STSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 CN disclosed
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed
EP-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2019-10-10 US disclosed
EP-3515916-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2019-07-31 EP disclosed
WO-2018057884-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2018-03-29 WO disclosed
US-8889702-B2 Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-11-18 US disclosed
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 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 (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-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN21, PTPN5, PTPN1 NAMPT 815/4885OPRD1 4870/4885OPRK1 4849/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 NAMPT 912/4885OPRD1 4873/4885OPRK1 4860/4885
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, IDH3B, DHFR NAMPT 54/4885OPRD1 2980/4885OPRK1 4175/4885
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 NAMPT 2936/4885OPRD1 4412/4885OPRK1 3762/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 NAMPT 2936/4885OPRD1 4412/4885OPRK1 3762/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 NAMPT 3347/4885OPRD1 4393/4885OPRK1 3610/4885

“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.