SCHEMBL551018

SCHEMBL551018

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
RECQL P46063 1/20 0.42
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 9/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
NPSR1 Q6W5P4 3/20 0.37
NPY2R P49146 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 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
SCHEMBL2700347 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL551426 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL551017 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL2700344 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL551425 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL551435 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT
SCHEMBL2697828 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT
SCHEMBL2697830 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT
SCHEMBL550091 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT
SCHEMBL551434 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT

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 KDM4E 3021/4885RECQL 3329/4885PDE7A 251/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 KDM4E 3021/4885RECQL 3329/4885PDE7A 251/4885

“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.