SCHEMBL23730547

SCHEMBL23730547

CC(=O)CNCC(C)(C)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.32
CNR2 P34972 5/20 0.32
ALDH1A1 P00352 3/20 0.30
TDP1 Q9NUW8 1/20 0.30
PIK3CD O00329 1/20 0.30
TRPA1 O75762 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL10249976 0.82 MGAM (0.36) ALDH1A1TDP1TRPA1
SCHEMBL2558809 0.80 HMGCR (0.40) CNR1CNR2ALDH1A1TDP1
SCHEMBL18414852 0.78 MAOA (0.41) CNR1CNR2
SCHEMBL19844616 0.75 KDM4E (0.31) ALDH1A1TDP1
SCHEMBL23730058 0.75 PIK3CD (0.35) PIK3CD
SCHEMBL690784 0.74
SCHEMBL1817888 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL18902220 0.73
SCHEMBL23730266 0.73 MCL1 (0.38) CNR1CNR2PIK3CDTRPA1TRPV1
SCHEMBL22237181 0.73 GAA (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 US disclosed
EP-3950685-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF Guangzhou Baiyunshan Pharmaceutical Holdings Co., Ltd. Baiyunshan Pharmaceutical General Factory (CN) 2022-02-09 EP disclosed
WO-2021154669-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 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-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 CNR1 860/4885CNR2 1161/4885ALDH1A1 1848/4885

“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.