SCHEMBL4865178

SCHEMBL4865178

CN1CCC(Sc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP7 Q93009 2/20 0.38
USP47 Q96K76 2/20 0.38
VCAM1 P19320 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL5635931 0.82 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2HSD17B10GPR35
SCHEMBL5635927 0.82 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2HSD17B10GPR35
SCHEMBL4873667 0.77 KDM4E (0.41) ALDH1A1NOS3NOS1NOS2POLB
SCHEMBL4503184 0.75 L3MBTL1 (0.39) ALDH1A1L3MBTL1ACHEPOLBSIRT6
SCHEMBL31202940 0.72 FAAH (0.45) ALDH1A1L3MBTL1ACHESIRT6SMN1; SMN2
SCHEMBL28509475 0.71 MEN1 (0.46) ALDH1A1L3MBTL1SIRT6SMN1; SMN2LMNA
SCHEMBL10126859 0.71 SIRT6 (0.54) ALDH1A1L3MBTL1ACHEPOLBSIRT6
SCHEMBL4864870 0.70 MAPT (0.45) ALDH1A1NOS3NOS1NOS2L3MBTL1
SCHEMBL11471541 0.69 ALDH1A1 (0.59) ALDH1A1POLBVCAM1LMNAHSD17B10
SCHEMBL5441574 0.69 HTR2A (0.52) ALDH1A1L3MBTL1POLBSIRT6SMN1; SMN2

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 ALDH1A1 1088/4885NOS3 2953/4885NOS1 3279/4885

“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.