Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570026

SCHEMBL4570026

SCHEMBL4570026

CC(C)OC(=O)Nc1ccc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ FPR2 P25090 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
SCHEMBL4570086 0.92 MAPT (0.38) MAPTALDH1A1NPSR1KMT2AALOX15
SCHEMBL17082132 0.92 MAPT (0.38) MAPTALDH1A1NPSR1KMT2AALOX15
SCHEMBL4570035 0.91 AADAT (0.40) MAPTALDH1A1NPSR1KMT2AALOX15
SCHEMBL17082169 0.87 KDM4E (0.43) KDM4EAADAT
SCHEMBL4570165 0.87 KDM4E (0.43) KDM4EAADAT
SCHEMBL4570145 0.87 CRBN (0.45) RAB9ADDB1CRBNL3MBTL1
SCHEMBL17082086 0.87 CRBN (0.45) RAB9ADDB1CRBNL3MBTL1
SCHEMBL549439 0.86 MAPT (0.50) MAPTALDH1A1NPSR1KMT2AHSD17B10
SCHEMBL549440 0.86 MAPT (0.50) MAPTALDH1A1NPSR1KMT2AHSD17B10
SCHEMBL4570036 0.86 KDM4E (0.38) MAPTKMT2AKDM4ECYP2C19CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 — — EP disclosed
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 MAPT 3735/4885ALDH1A1 177/4885NPSR1 1768/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 MAPT 3735/4885ALDH1A1 177/4885NPSR1 1768/4885

“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.