SCHEMBL1829367

SCHEMBL1829367

CC(C)(C)OC(=O)N1CC(c2ccccc2)C[C@H]1c1nnnn1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.43
GHSR Q92847 1/20 0.38
RORC P51449 2/20 0.38
TACR1 P25103 4/20 0.38
CCR1 P32246 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL1829364 1.00 HTRA1 (0.43) HTRA1GHSRRORCTACR1CCR1
SCHEMBL1355654 0.83 CCR1 (0.51) CCR1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL1355655 0.83 CCR1 (0.51) CCR1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL1828247 0.80 HTRA1 (0.43) HTRA1GHSRTACR1KMT2AL3MBTL1
SCHEMBL1828248 0.80 HTRA1 (0.43) HTRA1GHSRTACR1KMT2AL3MBTL1
SCHEMBL10254674 0.78 ERCC5 (0.41) HTRA1GHSRNR1H2NR1H3
SCHEMBL5762606 0.78 THRB (0.54) KMT2AGAASMN1; SMN2THRBKDM4E
SCHEMBL1826960 0.74 HTRA1 (0.46) HTRA1RORCTACR1KMT2ANR1H2
SCHEMBL1826961 0.74 HTRA1 (0.46) HTRA1RORCTACR1KMT2ANR1H2
SCHEMBL30147172 0.74 HTRA1 (0.42) HTRA1TACR1NR1H2NR1H3GAA

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-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 HTRA1 650/4885GHSR 3160/4885RORC 4362/4885

“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.