SCHEMBL20968873

SCHEMBL20968873

CCC(C)(C)N1CCn2ccnc2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
VNN1 O95497 1/20 0.34
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
NAMPT P43490 1/20 0.32
ADRA1A P35348 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
SCHEMBL436995 0.84 P2RX7 (0.36) P2RX7VNN1SCDSCD5NAMPT
SCHEMBL19286500 0.81 P2RX7 (0.34) P2RX7VNN1SCDSCD5NAMPT
SCHEMBL18843016 0.81 P2RX7 (0.34) P2RX7VNN1SCDSCD5NAMPT
SCHEMBL15505981 0.79 P2RX7 (0.33) P2RX7SCDSCD5ADRA1A
SCHEMBL20969052 0.78 CHRM1 (0.33) P2RX7ADRA1A
SCHEMBL23073866 0.76 P2RX7 (0.32) P2RX7SCDSCD5
SCHEMBL19017302 0.75 DPP4 (0.32)
SCHEMBL20227949 0.75 PDPK1 (0.40) NAMPT
SCHEMBL6369633 0.74 SCD (0.36) P2RX7VNN1SCDSCD5NAMPT
SCHEMBL15697005 0.73 P2RX7 (0.34) P2RX7VNN1SCDSCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225493-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-01-18 US disclosed
EP-3571208-B1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-03-10 EP disclosed
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2020-09-03 US disclosed
US-10759750-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-09-01 US disclosed
US-20190127323-A1 Novel Beta Lactams as Modulators of Glutamate Uptake and Methods for Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-02 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 (4 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-10759750-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof SLC1A2, SLC1A1, SLC7A11 P2RX7 1937/4885VNN1 650/4885SCD 567/4885
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 P2RX7 3197/4885VNN1 2558/4885SCD 3811/4885
US-11225493-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 P2RX7 3197/4885VNN1 2558/4885SCD 3811/4885
US-20190127323-A1 Novel Beta Lactams as Modulators of Glutamate Uptake and Methods for Use Thereof SLC1A2, SLC1A1, SLC7A11 P2RX7 2038/4885VNN1 630/4885SCD 521/4885

“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.