SCHEMBL4570084

SCHEMBL4570084

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
P2RX3 P56373 2/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
PDE7A Q13946 2/20 0.37
RORC P51449 1/20 0.36
NPY2R P49146 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
KMT2A Q03164 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
SCHEMBL17082034 1.00 L3MBTL1 (0.38) L3MBTL1P2RX3LDHALDHBPDE7A
SCHEMBL17082095 0.92 SMN1; SMN2 (0.37) P2RX3PDE7ARORCNPY2RSMN1; SMN2
SCHEMBL4570134 0.92 SMN1; SMN2 (0.37) P2RX3PDE7ARORCNPY2RSMN1; SMN2
SCHEMBL4570081 0.91 MTOR (0.40) L3MBTL1LDHALDHBPDE7ANPY2R
SCHEMBL17082063 0.91 MTOR (0.40) L3MBTL1LDHALDHBPDE7ANPY2R
SCHEMBL4570082 0.90 SMN1; SMN2 (0.43) L3MBTL1P2RX3LDHALDHBPDE7A
SCHEMBL17081988 0.90 SMN1; SMN2 (0.43) L3MBTL1P2RX3LDHALDHBPDE7A
SCHEMBL4570087 0.90 PDE7A (0.39) L3MBTL1P2RX3LDHALDHBPDE7A
SCHEMBL17082055 0.90 PDE7A (0.39) L3MBTL1P2RX3LDHALDHBPDE7A
SCHEMBL17082028 0.90 PDE7A (0.40) L3MBTL1P2RX3LDHALDHBPDE7A

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 L3MBTL1 4609/4885P2RX3 3732/4885LDHA 1428/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 L3MBTL1 4609/4885P2RX3 3732/4885LDHA 1428/4885

“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.