SCHEMBL4570165

SCHEMBL4570165

Cc1cc(NC(=O)OC(C)C)ccc1N1CCC[C@]2(CCN([C@H]3CC[C@H](O)CC3)C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PDE7A Q13946 1/20 0.38
HRH3 Q9Y5N1 7/20 0.34
NR1I3 Q14994 5/20 0.34
P2RX3 P56373 1/20 0.34
RET P07949 1/20 0.33
ROS1 P08922 1/20 0.33
FLT3 P36888 1/20 0.33
EML4 Q9HC35 1/20 0.33
ALK Q9UM73 1/20 0.33
KIF18A Q8NI77 1/20 0.33
AADAT Q8N5Z0 1/20 0.33

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
SCHEMBL17082169 1.00 KDM4E (0.43) KDM4EPDE7AHRH3NR1I3P2RX3
SCHEMBL17082096 0.91 PDE7A (0.38) KDM4EPDE7AHRH3P2RX3AADAT
SCHEMBL4570162 0.91 PDE7A (0.38) KDM4EPDE7AHRH3P2RX3AADAT
SCHEMBL4570036 0.91 KDM4E (0.38) KDM4EPDE7ANR1I3P2RX3
SCHEMBL4570161 0.89 SMN1; SMN2 (0.37) KDM4EPDE7AHRH3P2RX3RET
SCHEMBL17082099 0.89 SMN1; SMN2 (0.37) KDM4EPDE7AHRH3P2RX3RET
SCHEMBL4572366 0.89 PDE7A (0.39) KDM4EPDE7ANR1I3AADAT
SCHEMBL17082007 0.89 PDE7A (0.39) KDM4EPDE7ANR1I3AADAT
SCHEMBL4570159 0.89 ALDH1A1 (0.39) KDM4EPDE7AHRH3NR1I3
SCHEMBL17082116 0.89 ALDH1A1 (0.39) KDM4EPDE7AHRH3NR1I3

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-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 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-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
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 3021/4885PDE7A 251/4885HRH3 1926/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 KDM4E 3021/4885PDE7A 251/4885HRH3 1926/4885

“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.