SCHEMBL29002109

SCHEMBL29002109

COc1cc(C(C)C(=O)O)c(C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.47
PTGS2 P35354 4/20 0.38
PTGS1 P23219 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
SIRT6 Q8N6T7 1/20 0.37
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
LMNA P02545 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
SCHEMBL30340511 0.83 MC4R (0.41) NNMTPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL24094499 0.83 NNMT (0.40) NNMTPTGS2PTGS1KMT2AMEN1
SCHEMBL30340655 0.83 NNMT (0.40) NNMTPTGS2PTGS1KMT2AMEN1
SCHEMBL24094566 0.83 NNMT (0.40) NNMTPTGS2PTGS1KMT2AMEN1
SCHEMBL24853336 0.83 NNMT (0.40) NNMTPTGS2PTGS1KMT2AMEN1
SCHEMBL24853335 0.83 NNMT (0.40) NNMTPTGS2PTGS1KMT2AMEN1
SCHEMBL24094514 0.83 MC4R (0.41) NNMTPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL24854145 0.83 MC4R (0.41) NNMTPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL24094529 0.83 MC4R (0.41) NNMTPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL30318715 0.83 MC4R (0.41) NNMTPTGS2PTGS1AKR1C3AKR1C2

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
CN-116113635-B Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2025-03-18 CN disclosed
EP-4444708-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2024-10-16 EP disclosed
CN-118369317-A Melanocortin 4 receptor antagonists and uses thereof 辉瑞大药厂 2024-07-19 CN disclosed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 WO disclosed
CN-116113635-A Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2023-05-12 CN disclosed
EP-4161927-A1 SPIRO COMPOUNDS AS MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2023-04-12 EP disclosed