SCHEMBL21397614

SCHEMBL21397614

CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CC2NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.56
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ STS P08842 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ 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
SCHEMBL23046024 0.87 KDM1A (0.45) KDM1AKEAP1NFE2L2STSACHE
SCHEMBL21851881 0.84 KDM1A (0.53) KDM1ASTSACHEOPRD1OPRK1
SCHEMBL14272807 0.83 KDM1A (0.57) KDM1AGPR119HDAC1HDAC6NAMPT
SCHEMBL18838379 0.81 STS (0.51) KDM1AKEAP1NFE2L2STSACHE
SCHEMBL22793104 0.80 KDM1A (0.52) KDM1AGPR119HDAC1HDAC6NAMPT
SCHEMBL26121250 0.80 KDM1A (0.52) KDM1AGPR119HDAC1HDAC6NAMPT
SCHEMBL31096851 0.80 KDM1A (0.52) KDM1AGPR119HDAC1HDAC6NAMPT
SCHEMBL29771047 0.80 KDM1A (0.52) KDM1AGPR119HDAC1HDAC6NAMPT
SCHEMBL18838507 0.79 KEAP1 (0.49) KDM1AKEAP1NFE2L2STSACHE
SCHEMBL7882072 0.79 KDM1A (0.59) KDM1AOPRD1OPRK1GPR119HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 — — US disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 — — EP disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 — — US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 — — US disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 — — US disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 — — US disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 — — US disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 — — US disclosed
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRODINGER, INC. 2022-10-06 — — US disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 — — 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 KDM1A 1019/4885KEAP1 892/4885NFE2L2 2533/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 KDM1A 1019/4885KEAP1 892/4885NFE2L2 2533/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 KDM1A 1019/4885KEAP1 892/4885NFE2L2 2533/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC KDM1A 1283/4885KEAP1 1075/4885NFE2L2 2975/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 KDM1A 1019/4885KEAP1 892/4885NFE2L2 2533/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 KDM1A 1019/4885KEAP1 892/4885NFE2L2 2533/4885

“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.

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