SCHEMBL4570089

SCHEMBL4570089

CCCOC(=O)Nc1ccc(N2CCC[C@]3(CCN(C4CCOCC4)C3=O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
TP53 P04637 3/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 9/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL17082079 1.00 SMN1; SMN2 (0.55) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL4570080 0.93 MAPT (0.45) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL17082021 0.93 MAPT (0.45) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL17082070 0.89 L3MBTL1 (0.40) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL4570085 0.89 L3MBTL1 (0.40) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL4570091 0.89 SMN1; SMN2 (0.41) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL17082022 0.89 SMN1; SMN2 (0.41) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL4570061 0.88 SMN1; SMN2 (0.43) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL17082010 0.88 SMN1; SMN2 (0.43) SMN1; SMN2TP53HPGDMAPTNPC1
SCHEMBL4570082 0.88 SMN1; SMN2 (0.43) SMN1; SMN2TP53HPGDMAPTNPC1

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 SMN1; SMN2 3517/4885TP53 4797/4885HPGD 45/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 3517/4885TP53 4797/4885HPGD 45/4885

“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.