SCHEMBL21397626

SCHEMBL21397626

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(Br)cc1C2N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.42
▸ GPR119 Q8TDV5 3/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL34461174 0.88 GPR119 (0.40) NAMPTGPR119NR1H2IDO1ESR2
SCHEMBL28514011 0.84 KDM1A (0.46) NAMPTGPR119KDM1A
SCHEMBL27457062 0.84 KDM1A (0.46) NAMPTGPR119KDM1A
SCHEMBL21383778 0.83 USP30 (0.43) NAMPTGPR119IDO1FPR3FPR2
SCHEMBL30529609 0.83 USP30 (0.43) NAMPTGPR119IDO1FPR3FPR2
SCHEMBL21383738 0.83 PTPN11 (0.35) KDM1A
SCHEMBL30529378 0.80 GPR119 (0.39) NAMPTGPR119IDO1FPR3FPR2
SCHEMBL26310397 0.80 GPR119 (0.39) NAMPTGPR119IDO1FPR3FPR2
SCHEMBL23024321 0.78 GPR119 (0.42) NAMPTGPR119KDM1A
SCHEMBL34461157 0.77 GPR119 (0.48) NAMPTGPR119NR1H2ESR2FPR3

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 11 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-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 NAMPT 2309/4885GPR119 1069/4885NR1H2 834/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 NAMPT 2309/4885GPR119 1069/4885NR1H2 834/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 NAMPT 2309/4885GPR119 1069/4885NR1H2 834/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC NAMPT 1909/4885GPR119 1659/4885NR1H2 1525/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 NAMPT 2309/4885GPR119 1069/4885NR1H2 834/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 NAMPT 2309/4885GPR119 1069/4885NR1H2 834/4885

“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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