SCHEMBL4069014

SCHEMBL4069014

CCC1CC(=O)C=CN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.34
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
ABCB1 P08183 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SRD5A1 P18405 1/20 0.30

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
SCHEMBL17788017 0.86 NFKB1 (0.36) P2RX7NFKB1NFKB2RELAABCB1
SCHEMBL760600 0.80 GLA (0.40) NFKB1NFKB2RELA
SCHEMBL4077274 0.79 ECE1 (0.34) P2RX7NFKB1NFKB2RELA
SCHEMBL12488873 0.77 P2RX7 (0.34) P2RX7NFKB1NFKB2RELASRD5A1
SCHEMBL3343887 0.68 P2RX7 (0.52) P2RX7NFKB1NFKB2RELAMEN1
SCHEMBL9138384 0.66 NFKB1 (0.41) P2RX7NFKB1NFKB2RELANPC1
SCHEMBL19765489 0.66 NOTUM (0.35) P2RX7NFKB1NFKB2RELAABCB1
SCHEMBL16400796 0.65 P2RX7 (0.46) P2RX7MEN1KMT2A
SCHEMBL3341987 0.65 P2RX7 (0.54) P2RX7
SCHEMBL3347368 0.65 P2RX7 (0.43) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
CN-101370776-A 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARM INC (US) 2009-02-18 CN 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 P2RX7 2641/4885NFKB1 2700/4885NFKB2 2647/4885

“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.