SCHEMBL5548898

SCHEMBL5548898

CC(=O)Nc1ccc(CC2CCN(C3CCC(C)(O)CC3)C2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.39
ATAD2 Q6PL18 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
MAPT P10636 1/20 0.35
OPRD1 P41143 1/20 0.35
P2RX7 Q99572 1/20 0.34
ACHE P22303 1/20 0.34
METAP2 P50579 1/20 0.34
IDO1 P14902 1/20 0.34
CYP3A4 P08684 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
SCHEMBL4528168 0.93 BMPR1B (0.38) ATAD2CECR2ALDH1A1POLBSMN1; SMN2
SCHEMBL13674531 0.93 BMPR1B (0.38) ATAD2CECR2ALDH1A1POLBSMN1; SMN2
SCHEMBL4505621 0.91 NPY2R (0.36) KDM4EALDH1A1HSD11B1MAPTP2RX7
SCHEMBL4514917 0.91 KMT2A (0.42) ALDH1A1HPGDSMN1; SMN2L3MBTL1MAPT
SCHEMBL13674530 0.90 AVPR1A (0.43) METAP2
SCHEMBL4515579 0.90 AVPR1A (0.43) METAP2
SCHEMBL4505657 0.90 EPHX2 (0.41) SMN1; SMN2HSD11B1P2RX7
SCHEMBL4514423 0.88 CHRM1 (0.43) ALDH1A1HPGDHSD11B1L3MBTL1MAPT
SCHEMBL4511065 0.87 EPHX2 (0.36) SMN1; SMN2HSD11B1MAPTP2RX7
SCHEMBL4514431 0.87 KMT2A (0.44) RORCKDM4EALDH1A1POLBSMN1; SMN2

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 RORC 1357/4885ATAD2 3348/4885CECR2 4669/4885

“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.