SCHEMBL4096780

SCHEMBL4096780

COc1ccc(CCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
HPGD P15428 1/20 0.62
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.59
F2RL1 P55085 1/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SOD1 P00441 1/20 0.56
KCNH2 Q12809 1/20 0.56
PDE4B Q07343 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
CNR1 P21554 1/20 0.55
FPR2 P25090 1/20 0.55
MMP1 P03956 1/20 0.54
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54

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
SCHEMBL656856 1.00 NPC1 (0.71) NPC1RAB9AHPGDKMT2AATM
SCHEMBL7868896 0.92 NPC1 (0.83) NPC1RAB9AF2RL1MAPTLMNA
SCHEMBL11123550 0.88 GPR84 (0.59) NPC1RAB9AKMT2AMAPTL3MBTL1
SCHEMBL11436374 0.85 NPC1 (0.73) NPC1RAB9AKMT2AF2RL1MAPT
SCHEMBL28650786 0.85 LMNA (0.76) NPC1RAB9AKMT2AF2RL1MAPT
SCHEMBL3099659 0.85 NPC1 (0.68) NPC1RAB9AHPGDKMT2AMAPT
SCHEMBL3099974 0.85 NPC1 (0.68) NPC1RAB9AHPGDKMT2AMAPT
SCHEMBL10070207 0.84 RAB9A (0.68) NPC1RAB9AKMT2AF2RL1MAPT
SCHEMBL10070206 0.84 RAB9A (0.68) NPC1RAB9AKMT2AF2RL1MAPT
SCHEMBL1304164 0.84 NPC1 (0.71) NPC1RAB9AKMT2AF2RL1MAPT

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-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
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US 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 NPC1 437/4885RAB9A 3008/4885HPGD 174/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB NPC1 440/4885RAB9A 3002/4885HPGD 186/4885

“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.