SCHEMBL3404233

SCHEMBL3404233

CC(C)(O)c1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.55
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
PIK3CA P42336 1/20 0.40

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 0.86 HRH4 (0.59) HRH4KMT2ACYP1A2CRHBPCRHR2
SCHEMBL24766034 0.85 KMT2A (0.48) HRH4KMT2AMAPTCYP1A2CYP2D6
SCHEMBL3412463 0.85 HRH4 (0.57) HRH4KMT2ACYP1A2CRHBPCRHR2
SCHEMBL3588100 0.81 PIK3CA (0.54) HRH4KMT2AMAPTCYP1A2CYP2D6
SCHEMBL856718 0.81 MAPT (0.61) HRH4KMT2AMAPTCYP1A2CYP2D6
SCHEMBL3404314 0.80 HRH4 (0.52) HRH4
SCHEMBL8214568 0.80 HRH4 (0.49) HRH4KMT2AMAPTCYP1A2CYP2D6
SCHEMBL738268 0.80 PIK3CD (0.46) HRH4ATRATRIPPIK3CA
SCHEMBL20798021 0.80 PIK3CD (0.46) HRH4ATRATRIPPIK3CA
SCHEMBL17859911 0.77 KMT2A (0.47) HRH4KMT2AMAPTCYP1A2CYP2D6

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 2013/4885KMT2A 2755/4885MAPT 23/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB HRH4 2204/4885KMT2A 2670/4885MAPT 24/4885

“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.