SCHEMBL3412463

SCHEMBL3412463

CC(C)(O)c1cc(N2CCCCC2)nc(Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HPGD P15428 3/20 0.38
NUDT1 P36639 1/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 3/20 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
SCHEMBL3407255 0.98 HRH4 (0.59) HRH4SMN1; SMN2LMNATSHRKMT2A
SCHEMBL3404233 0.85 HRH4 (0.55) HRH4SMN1; SMN2TSHRKMT2ACYP1A2
SCHEMBL3404314 0.82 HRH4 (0.52) HRH4
SCHEMBL24851478 0.79 CHRM3 (0.55) HRH4SMN1; SMN2LMNATSHRKMT2A
SCHEMBL9163278 0.77 CASP1 (0.53) HRH4SMN1; SMN2LMNATSHRKMT2A
SCHEMBL3410886 0.75 CRHBP (0.64) HRH4SMN1; SMN2LMNATSHRKMT2A
SCHEMBL4116293 0.74 CYP1A2 (0.48) HRH4SMN1; SMN2LMNATSHRKMT2A
SCHEMBL3236763 0.74 CYP1A2 (0.48) HRH4SMN1; SMN2LMNATSHRKMT2A
SCHEMBL3405363 0.73 CRHBP (0.61) HRH4SMN1; SMN2LMNATSHRKMT2A
SCHEMBL2771738 0.72 CYP1A2 (0.47) HRH4SMN1; SMN2LMNATSHRKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB HRH4 2013/4885SMN1; SMN2 1705/4885LMNA 643/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB HRH4 2204/4885SMN1; SMN2 1510/4885LMNA 635/4885

“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.