SCHEMBL4570221

SCHEMBL4570221

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
LIMK1 P53667 1/20 0.32
OGA O60502 1/20 0.32
TSHR P16473 1/20 0.32
FSHR P23945 1/20 0.32
HSD11B1 P28845 2/20 0.31
DHODH Q02127 2/20 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
SCHEMBL17082148 1.00 ROCK2 (0.32) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL10112699 0.94 ROCK2 (0.35) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL17082191 0.91 ALDH1A1 (0.36) OGATSHRFSHRHSD11B1DHODH
SCHEMBL17082137 0.91 ALDH1A1 (0.36) OGATSHRFSHRHSD11B1DHODH
SCHEMBL4570219 0.91 ALDH1A1 (0.36) OGATSHRFSHRHSD11B1DHODH
SCHEMBL4570147 0.91 ALDH1A1 (0.36) OGATSHRFSHRHSD11B1DHODH
SCHEMBL17082119 0.91 HCRTR2 (0.33) TSHRFSHRHSD11B1
SCHEMBL17082115 0.91 HCRTR2 (0.33) TSHRFSHRHSD11B1
SCHEMBL4570217 0.91 HCRTR2 (0.33) TSHRFSHRHSD11B1
SCHEMBL4570186 0.91 HCRTR2 (0.33) TSHRFSHRHSD11B1

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 ROCK2 2129/4885PRKACA 893/4885PRKACG 1425/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 ROCK2 2129/4885PRKACA 893/4885PRKACG 1425/4885

“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.