SCHEMBL22045494

SCHEMBL22045494

C[C@@H](O)c1nc(OCC(=O)OC(C)(C)C)ccc1-n1cccn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.34
HCRTR2 O43614 5/20 0.34
HCRTR1 O43613 4/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
SYK P43405 1/20 0.32
PTPN1 P18031 1/20 0.32
FPR2 P25090 2/20 0.32
CYP46A1 Q9Y6A2 1/20 0.31

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
SCHEMBL25257540 0.86 PTGDR (0.44) PTGDRHCRTR2HCRTR1KCNH2CYP2C8
SCHEMBL25301308 0.86 PTGDR (0.44) PTGDRHCRTR2HCRTR1KCNH2CYP2C8
SCHEMBL30046481 0.83 HCRTR2 (0.36) HCRTR2HCRTR1DDB1CRBNGPR119
SCHEMBL22045492 0.83 HCRTR2 (0.36) HCRTR2HCRTR1DDB1CRBNGPR119
SCHEMBL22044800 0.79 PSEN1 (0.39) PTGDRDDB1CRBNKCNH2CYP2C8
SCHEMBL30046221 0.79 PSEN1 (0.39) PTGDRDDB1CRBNKCNH2CYP2C8
SCHEMBL22045244 0.79 HCRTR2 (0.33) PTGDRHCRTR2HCRTR1KCNH2CYP2C8
SCHEMBL21988981 0.77 HCRTR2 (0.40) HCRTR2HCRTR1KCNH2CYP2C8CYP2C9
SCHEMBL21988980 0.77 HCRTR2 (0.40) HCRTR2HCRTR1KCNH2CYP2C8CYP2C9
SCHEMBL30047086 0.75 KCNH2 (0.46) HCRTR1KCNH2CYP2C8CYP2C9SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 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 (4 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L PTGDR 623/4885HCRTR2 3239/4885HCRTR1 3191/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L PTGDR 623/4885HCRTR2 3239/4885HCRTR1 3191/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L PTGDR 623/4885HCRTR2 3239/4885HCRTR1 3191/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L PTGDR 623/4885HCRTR2 3239/4885HCRTR1 3191/4885

“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.