SCHEMBL4865349

SCHEMBL4865349

CN1CCC(Sc2ccc([N+](=O)[O-])c(CN)c2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 4/20 0.36
SIRT6 Q8N6T7 3/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
VCAM1 P19320 1/20 0.34
LMNA P02545 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
HTR6 P50406 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 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
SCHEMBL4869957 0.82 HTR2A (0.44) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL5634825 0.82 HTR2A (0.33) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL4865356 0.80 HTR2A (0.42) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL4864870 0.68 MAPT (0.45) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL31202940 0.68 FAAH (0.45) SMN1; SMN2MAPTSIRT6HPGDLMNA
SCHEMBL14082411 0.68 LMNA (0.47) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL5635954 0.68 HTR2A (0.36) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL5635950 0.68 HTR2A (0.36) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL278621 0.68 TDP1 (0.60) KMT2AVCAM1MAPK1
SCHEMBL4874452 0.67 POLB (0.32) SMN1; 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 NOS3 2953/4885NOS1 3279/4885NOS2 3563/4885

“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.