SCHEMBL2630503

SCHEMBL2630503

CC(C)(C)OC(=O)N[C@@H]1C=CCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.55
NFKB2 Q00653 4/20 0.55
RELA Q04206 4/20 0.55
BTK Q06187 1/20 0.43
MAPT P10636 1/20 0.41
CTSK P43235 2/20 0.40
GAA P10253 2/20 0.39
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL2630498 1.00 NFKB1 (0.55) NFKB1NFKB2RELABTKMAPT
SCHEMBL22241778 1.00 NFKB1 (0.55) NFKB1NFKB2RELABTKMAPT
Bicarbonate SCHEMBL6014904 0.97 NFKB1 (0.53) NFKB1NFKB2RELABTKMAPT
SCHEMBL19258039 0.90 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
Methanesulfonic Acid Methyl Ester SCHEMBL3901628 0.90 NFKB1 (0.47) NFKB1NFKB2RELABTKMAPT
SCHEMBL18024827 0.87 NFKB1 (0.50) NFKB1NFKB2RELABTKCTSK
SCHEMBL10538036 0.82 MAPT (0.57) NFKB1NFKB2RELAMAPTEPHX2
SCHEMBL1928948 0.80 NFKB1 (0.56) NFKB1NFKB2RELABTKCTSK
SCHEMBL17991584 0.79 NFKB1 (0.44) NFKB1NFKB2RELABTKMAPT
SCHEMBL17992573 0.79 MAPT (0.48) NFKB1NFKB2RELABTKMAPT

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-8524943-B2 Production of trans-4-aminocyclopent-2-ene-1-carboxylic acid derivatives DR. REDDY'S LABORATORIES, INC. (US) 2013-09-03 US disclosed
US-20120101297-A1 PRODUCTION OF TRANS-4-AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID DERIVATIVES DR. REDDY'S LABORATORIES, INC. (US) 2012-04-26 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 (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-20120101297-A1 PRODUCTION OF TRANS-4-AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID DERIVATIVES COASY, BCAT1, ALDH7A1 NFKB1 1427/4885NFKB2 2293/4885RELA 2244/4885

“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.