SCHEMBL4874939

SCHEMBL4874939

Cc1c(SC2CCN(C)CC2)ccc(N)c1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
PTK2B Q14289 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31
ADRA2C P18825 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL31203012 0.75 HTR1D (0.40) GAASMN1; SMN2ALOX15KDM4EMAPT
SCHEMBL4874452 0.75 POLB (0.32) GAASMN1; SMN2
SCHEMBL4869835 0.74 POLB (0.45) SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL4873374 0.74 POLB (0.31) GAASMN1; SMN2KDM4EMAPT
SCHEMBL4868707 0.73 POLB (0.33) GAASMN1; SMN2CARM1PRMT6
SCHEMBL14082421 0.72 GAA (0.36) GAASMN1; SMN2CARM1PRMT6ALOX15
SCHEMBL6615443 0.70 KAT2B (0.33) GAASMN1; SMN2CARM1PRMT6ALOX15
SCHEMBL4874579 0.68 GAA (0.44) GAASMN1; SMN2CARM1PRMT6ALOX15
SCHEMBL4874445 0.68 POLB (0.36) GAASMN1; SMN2CARM1PRMT6KDM4E
SCHEMBL4864470 0.67 MEN1 (0.37) HTR1F

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 GAA 3452/4885SMN1; SMN2 855/4885CARM1 1203/4885

“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.