SCHEMBL21989007

SCHEMBL21989007

CC(=O)c1nc(OCC(=O)O)ccc1-n1cccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.41
HCRTR2 O43614 6/20 0.38
HCRTR1 O43613 4/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.36
PTGER2 P43116 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
PTPN7 P35236 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM6B O15054 1/20 0.34

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
SCHEMBL30046481 0.85 HCRTR2 (0.36) HCRTR2HCRTR1KMT2AALDH1A1KDM4E
SCHEMBL22045492 0.85 HCRTR2 (0.36) HCRTR2HCRTR1KMT2AALDH1A1KDM4E
SCHEMBL21988657 0.83 HCRTR2 (0.37) HCRTR2HCRTR1HTTMEN1KMT2A
SCHEMBL22045493 0.82 L3MBTL1 (0.37) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL25257540 0.81 PTGDR (0.44) PTGDRHCRTR2HCRTR1HTTMEN1
SCHEMBL25301308 0.81 PTGDR (0.44) PTGDRHCRTR2HCRTR1HTTMEN1
SCHEMBL21995703 0.79 LMNA (0.36) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL21988681 0.78 PTGDR (0.47) PTGDRMEN1KMT2AALDH1A1TSHR
SCHEMBL21988725 0.77 LMNA (0.40) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL21988635 0.75 KMT2A (0.40) HCRTR2HCRTR1MEN1KMT2AALDH1A1

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 4 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-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.