SCHEMBL21108564

SCHEMBL21108564

CCCCC(C)(C)N1CC=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 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
SCHEMBL20216162 0.95 MGLL (0.37) PTGS1PTGS2MGLLFAAH
SCHEMBL22420047 0.93 MGLL (0.40) PTGS1PTGS2MGLLFAAH
SCHEMBL24690695 0.89 GMNN (0.30) MGLL
SCHEMBL12313634 0.83 GMNN (0.33) MGLL
SCHEMBL18897244 0.83 MGLL (0.36) PTGS1PTGS2MGLLFAAH
SCHEMBL18469617 0.82 MGLL (0.39) PTGS1PTGS2MGLLFAAH
SCHEMBL21108746 0.81 MGLL (0.37) PTGS1PTGS2MGLLFAAH
SCHEMBL18737355 0.80 MGLL (0.40) PTGS1PTGS2MGLLFAAH
SCHEMBL18737513 0.80 MGLL (0.40) PTGS1PTGS2MGLLFAAH
SCHEMBL19176551 0.80 MGLL (0.40) PTGS1PTGS2MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 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-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PTGS1 3720/4885PTGS2 2603/4885MGLL 616/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK PTGS1 2252/4885PTGS2 1705/4885MGLL 3812/4885

“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.