SCHEMBL4570228

SCHEMBL4570228

C#CCOC(=O)Nc1cnc(N2CCC[C@]3(CCN([C@H]4CC[C@@H](O)CC4)C3=O)C2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 7/20 0.34
CXCR3 P49682 4/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 3/20 0.32
AGPAT2 O15120 4/20 0.31

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
SCHEMBL17082164 1.00 MALT1 (0.34) MALT1CXCR3ALDH1A1CYP1A2CYP2D6
SCHEMBL10112717 0.94 MALT1 (0.39) MALT1CXCR3ALDH1A1CYP1A2CYP2D6
SCHEMBL17082148 0.91 ROCK2 (0.32) HSD11B1
SCHEMBL4570221 0.91 ROCK2 (0.32) HSD11B1
SCHEMBL17082046 0.90 P2RY12 (0.37) MALT1CXCR3ALDH1A1
SCHEMBL17082025 0.90 P2RY12 (0.37) MALT1CXCR3ALDH1A1
SCHEMBL4570101 0.90 P2RY12 (0.37) MALT1CXCR3ALDH1A1
SCHEMBL4570226 0.90 P2RY12 (0.37) MALT1CXCR3ALDH1A1
SCHEMBL17082119 0.89 HCRTR2 (0.33) MALT1HSD11B1
SCHEMBL17082115 0.89 HCRTR2 (0.33) MALT1HSD11B1

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 MALT1 201/4885CXCR3 1144/4885ALDH1A1 177/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 MALT1 201/4885CXCR3 1144/4885ALDH1A1 177/4885

“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.