SCHEMBL20564178

SCHEMBL20564178

O=C(O)N1CCC2(CC1)CCN(C(=O)Cl)CC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.38
CYP1A2 P05177 4/20 0.37
CYP2C9 P11712 3/20 0.37
USP2 O75604 3/20 0.37
CHRM2 P08172 3/20 0.37
CHRM3 P20309 1/20 0.37
CYP2C19 P33261 4/20 0.35
CYP3A4 P08684 7/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPK1 P28482 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL933548 0.85 USP2 (0.41) CYP2D6CYP1A2CYP2C9USP2CHRM2
SCHEMBL346850 0.84 CYP1A2 (0.42) CYP2D6CYP1A2CYP2C9USP2CYP2C19
SCHEMBL1723498 0.83 ALDH1A1 (0.33) CYP1A2ALDH1A1
SCHEMBL8223931 0.82 HSD11B1 (0.41) CYP2D6CYP1A2CYP2C9USP2CYP2C19
SCHEMBL3924590 0.81 HSD11B1 (0.42) CYP2D6CYP1A2CYP2C9USP2CYP2C19
SCHEMBL751237 0.81 USP2 (0.39) CYP2D6CYP1A2CYP2C9USP2CYP2C19
Hydrochloric Acid SCHEMBL19210209 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4062010 0.79 HSD11B1 (0.45) CYP1A2CYP2C9USP2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL8486057 0.79 HSD11B1 (0.41) CYP2D6CYP1A2CYP2C9USP2CYP2C19
SCHEMBL30501211 0.77 USP2 (0.37) CYP2D6CYP1A2CYP2C9USP2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
EP-3628045-A1 COMPOUNDS The University Of Sheffield (GB) 2020-04-01 EP disclosed
WO-2018211275-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2018-11-22 WO 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-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 CYP2D6 838/4885CYP1A2 465/4885CYP2C9 795/4885

“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.