SCHEMBL20909015

SCHEMBL20909015

COC(=O)N1CCC(c2nc(Cl)c(Cl)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
FASN P49327 3/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HTR2B P41595 1/20 0.38
PARP1 P09874 2/20 0.37
BRD4 O60885 1/20 0.37
PDE4B Q07343 3/20 0.37

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
SCHEMBL16992152 0.86 ALDH1A1 (0.49) SMN1; SMN2MAPTLMNATP53HTT
SCHEMBL1662358 0.85 KDM4E (0.50) MAPTLMNAHTTHSD17B10MEN1
SCHEMBL1664728 0.82 HTR2B (0.40) LMNAHTTFASNL3MBTL1HTR2B
SCHEMBL17001834 0.75 PARP1 (0.42) LMNAMEN1KMT2APARP1
SCHEMBL20993453 0.69 EPHX1 (0.45) SMN1; SMN2MAPTL3MBTL1GAABRD4
SCHEMBL8286682 0.68 BRD4 (0.49) SMN1; SMN2L3MBTL1GAACYP4F2CYP4A11
SCHEMBL23865987 0.67 CYP3A4 (0.51) HSD17B10BRD4
SCHEMBL28944854 0.67 DDB1 (0.47) FASNPDE4BPDE4APDE4CPDE4D
SCHEMBL947009 0.66 KDM4E (0.53) MAPTHTTMEN1KMT2A
SCHEMBL8994812 0.66 CYP3A4 (0.41) IRAK4HSD17B10MEN1KMT2ABRD4

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-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-08-20 US disclosed
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-04-18 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-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 IRAK4 1222/4885SMN1; SMN2 1525/4885MAPT 3656/4885
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists CHRM1, CHRM2, CHRM5 IRAK4 1222/4885SMN1; SMN2 1525/4885MAPT 3656/4885

“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.