Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570087

SCHEMBL4570087

SCHEMBL4570087

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPY2R P49146 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ LDHB P07195 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17082055 1.00 PDE7A (0.39) PDE7AHTTKMT2ANPC1RAB9A
SCHEMBL4570036 0.92 KDM4E (0.38) PDE7AKMT2ANPY2RKDM4EP2RX3
SCHEMBL4570077 0.92 PDE7A (0.40) PDE7AHTTKMT2ANPC1RAB9A
SCHEMBL17082028 0.92 PDE7A (0.40) PDE7AHTTKMT2ANPC1RAB9A
SCHEMBL4570084 0.90 L3MBTL1 (0.38) PDE7AHTTKMT2ANPC1RAB9A
SCHEMBL17082034 0.90 L3MBTL1 (0.38) PDE7AHTTKMT2ANPC1RAB9A
SCHEMBL4570081 0.89 MTOR (0.40) PDE7AHTTNPC1RAB9AL3MBTL1
SCHEMBL17082063 0.89 MTOR (0.40) PDE7AHTTNPC1RAB9AL3MBTL1
SCHEMBL2699657 0.87 MAPT (0.41) PDE7AHTTKMT2ANPC1RAB9A
SCHEMBL3706571 0.87 MAPT (0.41) PDE7AHTTKMT2ANPC1RAB9A

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 PDE7A 251/4885HTT 4706/4885KMT2A 3165/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 PDE7A 251/4885HTT 4706/4885KMT2A 3165/4885

“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.