SCHEMBL18926529

SCHEMBL18926529

CC(OC(=O)N1CCc2n[nH]c(-c3ccccc3)c2C1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
GRIN2B Q13224 1/20 0.41
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
ACACB O00763 2/20 0.38
ABHD6 Q9BV23 1/20 0.38
CFTR P13569 1/20 0.37
FAAH O00519 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LPAR1 Q92633 1/20 0.35
EP300 Q09472 1/20 0.35
MTHFD2 P13995 2/20 0.35
PDE10A Q9Y233 2/20 0.35

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
SCHEMBL17868223 0.81 BRD4 (0.63) PTGDR2BRD4CREBBPEP300
SCHEMBL18926528 0.78 DHFR (0.51) PTGDR2
SCHEMBL24417839 0.73 CKS1B (0.46)
SCHEMBL5720799 0.71 CCNA2 (0.47) BRD4CREBBPEP300
SCHEMBL17868276 0.71 HRH3 (0.47) PTGDR2
Oxalic Acid SCHEMBL6423517 0.71 GRIN2B (0.44) PTGDR2GRIN2BACACBABHD6FAAH
SCHEMBL5720821 0.71 CKS1B (0.42)
SCHEMBL5697155 0.69 GRIN2B (0.55) GRIN2B
SCHEMBL23850127 0.69 GRIN2B (0.55) GRIN2B
SCHEMBL11402131 0.69 BRD4 (0.45) BRD4CREBBPMTHFD2

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-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 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 (1 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-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS PTGDR2 1720/4885GRIN2B 2261/4885BRD4 1214/4885

“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.