SCHEMBL551256

SCHEMBL551256

CCC(=O)Nc1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 6/20 0.41
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 4/20 0.41
PDE7A Q13946 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
DRD4 P21917 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPY2R P49146 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
TERT O14746 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
SCHEMBL551255 1.00 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL2701138 1.00 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL551311 1.00 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL551312 1.00 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL2701141 1.00 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL551434 0.91 PDE7A (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL551435 0.91 PDE7A (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL2697830 0.91 PDE7A (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL2697828 0.91 PDE7A (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A
SCHEMBL550091 0.91 PDE7A (0.41) ALDH1A1HPGDHSD17B10KDM4EPDE7A

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 7 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
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 ALDH1A1 177/4885HPGD 45/4885HSD17B10 25/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 ALDH1A1 177/4885HPGD 45/4885HSD17B10 25/4885

“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.