SCHEMBL24703801

SCHEMBL24703801

CC(C)(C)OC(=O)N1CCC2(CCC(CCCI)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ GPR119 Q8TDV5 11/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TPSAB1 Q15661 2/20 0.38
▸ TPSD1 Q9BZJ3 2/20 0.38
▸ TPSG1 Q9NRR2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ FAAH O00519 1/20 0.38

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
SCHEMBL5895894 0.84 DDB1 (0.47) DDB1CRBNGPR119HRH3KDM4E
SCHEMBL16914367 0.77 KDM4E (0.45) DDB1CRBNGPR119HRH3KDM4E
SCHEMBL20385872 0.77 KDM4E (0.45) DDB1CRBNGPR119HRH3KDM4E
SCHEMBL31184024 0.77 KDM4E (0.45) DDB1CRBNGPR119HRH3KDM4E
SCHEMBL1490070 0.76 GPR119 (0.54) GPR119KDM4EHPGDFAAH
SCHEMBL29498092 0.76 KDM4E (0.44) DDB1CRBNGPR119HRH3KDM4E
SCHEMBL16925178 0.76 KDM4E (0.44) DDB1CRBNGPR119HRH3KDM4E
SCHEMBL5895563 0.75 KDM4E (0.43) DDB1CRBNGPR119HRH3KDM4E
SCHEMBL4792848 0.74 DDB1 (0.43) DDB1CRBNGPR119HRH3KDM4E
SCHEMBL5895200 0.74 GPR119 (0.43) DDB1CRBNGPR119HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396585-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-12-15 — — 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 (1 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-20220396585-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 DDB1 1556/4885CRBN 247/4885GPR119 1069/4885

“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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