SCHEMBL21764675

SCHEMBL21764675

CC(C)(C)OC(=O)N1CCC(Oc2ncccc2Cl)C2(CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GPR119 Q8TDV5 5/20 0.45
STS P08842 2/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SSTR4 P31391 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL21764677 0.89 GPR119 (0.46) POLBGPR119SSTR4PDE4APDE4B
SCHEMBL5267601 0.82 POLB (0.55) POLBGPR119STSFNTAFNTB
SCHEMBL5459403 0.80 PIK3CD (0.55) POLBGPR119
SCHEMBL10116785 0.80 GPR119 (0.42) GPR119
SCHEMBL10116593 0.80 GPR119 (0.61) GPR119
SCHEMBL10116775 0.75 GPR119 (0.42) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL31080295 0.75 CYP11B2 (0.41) POLBGPR119STSPDE4APDE4B
SCHEMBL31080059 0.75 CYP11B2 (0.41) POLBGPR119STSPDE4APDE4B
SCHEMBL31080346 0.75 CYP11B2 (0.41) POLBGPR119STSPDE4APDE4B
SCHEMBL17456045 0.74 POLB (0.43) POLBGPR119STSPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 US disclosed
WO-2020041100-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-27 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 (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-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU POLB 3014/4885GPR119 376/4885STS 927/4885

“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.