SCHEMBL4869796

SCHEMBL4869796

CCOC(=O)N1CCCC(Sc2ccc(N)c(NC)c2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.38
NOS1 P29475 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM1 P11229 2/20 0.37
USP2 O75604 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 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
SCHEMBL4874577 0.85 HPGD (0.41) KDM4EALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL4872690 0.79 MAPT (0.43) NOS2NOS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4874428 0.79 MAPT (0.43) NOS2NOS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4868760 0.74 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2THRBUSP2MEN1
SCHEMBL25036810 0.69 STS (0.47) KDM4EALDH1A1THRBL3MBTL1USP2
SCHEMBL4874922 0.66 GAA (0.50) NOS2KDM4EALDH1A1SMN1; SMN2THRB
SCHEMBL4635773 0.64 NOS2 (0.62) NOS2NOS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6251996 0.63 NOS2 (0.57) NOS2NOS1KDM4EALDH1A1CHRM1
SCHEMBL13162546 0.63 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2A
SCHEMBL12010061 0.63 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2USP2CHRM2

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
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 NOS2 3563/4885NOS1 3279/4885KDM4E 1553/4885

“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.