Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570081

SCHEMBL4570081

SCHEMBL4570081

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.40
▸ PDE7A Q13946 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ LDHA P00338 1/20 0.37
▸ LDHB P07195 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPY2R P49146 2/20 0.37
▸ NR1I3 Q14994 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ S1PR1 P21453 1/20 0.36

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
SCHEMBL17082063 1.00 MTOR (0.40) MTORPDE7AL3MBTL1MAPK1LMNA
SCHEMBL17081988 0.94 SMN1; SMN2 (0.43) MTORPDE7AL3MBTL1LDHALDHB
SCHEMBL4570082 0.94 SMN1; SMN2 (0.43) MTORPDE7AL3MBTL1LDHALDHB
SCHEMBL17082101 0.92 ALDH1A1 (0.38) PDE7AL3MBTL1LMNAALDH1A1NPY2R
SCHEMBL4570135 0.92 ALDH1A1 (0.38) PDE7AL3MBTL1LMNAALDH1A1NPY2R
SCHEMBL17082028 0.92 PDE7A (0.40) MTORPDE7AL3MBTL1MAPK1LDHA
SCHEMBL4570077 0.92 PDE7A (0.40) MTORPDE7AL3MBTL1MAPK1LDHA
SCHEMBL4570084 0.91 L3MBTL1 (0.38) PDE7AL3MBTL1LDHALDHBNPY2R
SCHEMBL17082034 0.91 L3MBTL1 (0.38) PDE7AL3MBTL1LDHALDHBNPY2R
SCHEMBL3706571 0.89 MAPT (0.41) MTORPDE7AL3MBTL1LMNAALDH1A1

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 MTOR 511/4885PDE7A 251/4885L3MBTL1 4609/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 MTOR 511/4885PDE7A 251/4885L3MBTL1 4609/4885

“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.