SCHEMBL4874577

SCHEMBL4874577

CCOC(=O)N1CCCC(Sc2ccc([N+](=O)[O-])c(NC)c2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR174 Q9BXC1 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 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
SCHEMBL4869796 0.85 NOS2 (0.38) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4865356 0.79 HTR2A (0.42) HPGDMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4874428 0.76 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4872690 0.76 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5635326 0.72 HPGD (0.35) HPGDMAPTALDH1A1POLBKMT2A
SCHEMBL4868760 0.71 SMN1; SMN2 (0.42) HPGDMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5634829 0.69 HPGD (0.35) HPGDMAPTALDH1A1KMT2A
SCHEMBL4670055 0.67 SMN1; SMN2 (0.59) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL6251696 0.66 ALDH1A1 (0.54) HPGDMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1164238 0.66 NOS2 (0.57) MAPTALDH1A1LMNASMN1; SMN2POLB

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 HPGD 1819/4885MAPT 3850/4885ALDH1A1 1088/4885

“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.