SCHEMBL20878701

SCHEMBL20878701

C1CCC(C2=NCCO2)NC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1A P35348 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CHRM5 P08912 5/20 0.33
CHRM3 P20309 5/20 0.33
CHRM2 P08172 5/20 0.33

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
SCHEMBL11742539 0.98 ADRA2A (0.40) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL7624475 0.94 L3MBTL1 (0.39) CHRNB2CHRNA7CHRNA4ADRA2AADRA2B
Hydrochloric Acid SCHEMBL4787170 0.93 L3MBTL1 (0.38) CHRNB2CHRNA7CHRNA4ADRA2AADRA2B
SCHEMBL471865 0.71 ADRA2A (0.44) CYP2D6CYP1A2CYP2C9ADRA2AADRA2B
SCHEMBL961726 0.71 ADRA2A (0.44) CYP2D6CYP1A2CYP2C9ADRA2AADRA2B
SCHEMBL961378 0.70 ADRA2A (0.47) CYP2D6POLBCYP1A2CYP2C9ADRA2A
Hydrogen Sulfide SCHEMBL721911 0.68 ADRA2A (0.46) CYP2D6CYP1A2CYP2C9ADRA2AADRA2B
SCHEMBL11740603 0.67
SCHEMBL19612832 0.66
SCHEMBL11743173 0.66 ADRA2A (0.38) CYP2D6CYP1A2CYP2C9ADRA2AADRA2B

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-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2023-06-15 US disclosed
US-10253013-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-04-09 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-10253013-B2 Selective matrix metalloproteinase inhibitors MMP14, MMP9, MMP13 MEN1 2616/4885CYP2D6 1769/4885CYP2C19 614/4885
US-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF FABP4, FABP1, FABP3 MEN1 4769/4885CYP2D6 1655/4885CYP2C19 3084/4885

“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.