SCHEMBL549394

SCHEMBL549394

N#Cc1ccc(N2CCN(C(=O)N3CCCC4(CCN(C5CCC(O)CC5)C4=O)C3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HSD11B1 P28845 4/20 0.39
HTR7 P34969 1/20 0.38
AKR1C3 P42330 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM4 P08173 1/20 0.36
FASN P49327 1/20 0.36
PANK3 Q9H999 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
PARP1 P09874 1/20 0.34
GFER P55789 1/20 0.34
FAAH O00519 1/20 0.34
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 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
SCHEMBL549393 1.00 CTSS (0.39) CTSSCTSKHSD11B1HTR7AKR1C3
SCHEMBL17082031 1.00 CTSS (0.39) CTSSCTSKHSD11B1HTR7AKR1C3
SCHEMBL549158 0.87 AKR1C3 (0.52) HSD11B1AKR1C3ALDH1A1LMNAHPGD
SCHEMBL17082145 0.87 AKR1C3 (0.52) HSD11B1AKR1C3ALDH1A1LMNAHPGD
SCHEMBL549159 0.87 AKR1C3 (0.52) HSD11B1AKR1C3ALDH1A1LMNAHPGD
SCHEMBL550355 0.87 AKR1C3 (0.46) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL550354 0.87 AKR1C3 (0.46) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL550337 0.86 HSD11B1 (0.43) CTSSCTSKHSD11B1HTR7FASN
SCHEMBL550338 0.86 HSD11B1 (0.43) CTSSCTSKHSD11B1HTR7FASN
SCHEMBL549513 0.86 USP2 (0.41) AKR1C3ALDH1A1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US claimed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US claimed
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP claimed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US claimed
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
EP-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US disclosed
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP disclosed
US-20060116382-A1 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-01 US disclosed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 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 (3 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-20060116382-A1 Lactam compounds and their use as pharmaceuticals HSD11B1, HSD11B2, HSD17B1 CTSS 3039/4885CTSK 3641/4885HSD11B1 1/4885
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 CTSS 3039/4885CTSK 3641/4885HSD11B1 1/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 CTSS 3039/4885CTSK 3641/4885HSD11B1 1/4885

“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.