SCHEMBL4010733

SCHEMBL4010733

COC(=O)c1ccc(N2CCC[C@H](NC(=O)C34CC5CC(C3)C(O)C(C5)C4)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
CRBN Q96SW2 4/20 0.40
BTK Q06187 3/20 0.39
DDB1 Q16531 2/20 0.39
MEN1 O00255 1/20 0.38
HSD11B1 P28845 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B2 P80365 3/20 0.38
HSD17B10 Q99714 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL4152867 0.89 BTK (0.46) KMT2ARAB9AHRH3BTKMEN1
SCHEMBL4142418 0.88 KMT2A (0.43) KMT2AMEN1HSD11B1HSD11B2
SCHEMBL4152408 0.86 HSD11B1 (0.44) BTKHSD11B1HSD17B10
SCHEMBL4138565 0.86 SMPD3 (0.38) KMT2ABTKHSD11B1HSD11B2
SCHEMBL4005054 0.86 HSD11B1 (0.40) KMT2AMEN1HSD11B1HSD11B2
SCHEMBL5950770 0.86 GRM1 (0.50) KMT2AMEN1HSD11B1HSD11B2
SCHEMBL5950733 0.86 HSD11B1 (0.40) KMT2AMEN1HSD11B1HSD11B2
SCHEMBL4011662 0.86 KMT2A (0.42) KMT2ARAB9ANPC1BTKMEN1
SCHEMBL3999588 0.86 KMT2A (0.42) KMT2ARAB9ANPC1BTKMEN1
SCHEMBL4003557 0.86 GRM1 (0.50) KMT2AMEN1HSD11B1HSD11B2

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
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KMT2A 3418/4885RAB9A 1641/4885NPC1 325/4885

“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.