SCHEMBL4570082

SCHEMBL4570082

CCCOC(=O)Nc1ccc(N2CCC[C@]3(CCN(C4CCOCC4)C3=O)C2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MTOR P42345 3/20 0.38
PIK3R1 P27986 1/20 0.38
PDE7A Q13946 2/20 0.37
S1PR1 P21453 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
NPY2R P49146 3/20 0.36
HTT P42858 1/20 0.36
P2RX3 P56373 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
SCHEMBL17081988 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL17082063 0.94 MTOR (0.40) NPC1RAB9AMAPTL3MBTL1MTOR
SCHEMBL4570081 0.94 MTOR (0.40) NPC1RAB9AMAPTL3MBTL1MTOR
SCHEMBL17082120 0.92 SMN1; SMN2 (0.42) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL4570133 0.92 SMN1; SMN2 (0.42) SMN1; SMN2TP53HPGDNPC1RAB9A
SCHEMBL4570077 0.90 PDE7A (0.40) NPC1RAB9AMAPTL3MBTL1KMT2A
SCHEMBL17082028 0.90 PDE7A (0.40) NPC1RAB9AMAPTL3MBTL1KMT2A
SCHEMBL4570084 0.90 L3MBTL1 (0.38) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL17082034 0.90 L3MBTL1 (0.38) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL17082079 0.88 SMN1; SMN2 (0.55) SMN1; SMN2TP53HPGDNPC1RAB9A

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.