SCHEMBL2903465

SCHEMBL2903465

CC(C)CC(C(=O)O)c1cc(-c2ccccc2)cc(C2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.42
PDE2A O00408 1/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
DRD2 P14416 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
MCHR1 Q99705 1/20 0.39
CCR5 P51681 2/20 0.39
SCN9A Q15858 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
CNR2 P34972 1/20 0.39
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38

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
SCHEMBL27848818 0.93 L3MBTL1 (0.46) CHRM4PDE2ADRD4HTR2ADRD2
SCHEMBL28791102 0.92 ATM (0.41) DRD4HTR2ADRD2ATML3MBTL1
SCHEMBL2915152 0.91 PSEN1 (0.45) CHRM4PDE2ADRD4HTR2ADRD2
SCHEMBL27894669 0.89 POLB (0.44) PDE2AATML3MBTL1BCHEACHE
SCHEMBL2901715 0.86 LMNA (0.41) HTR2ACNR2
SCHEMBL27848935 0.85 PSEN1 (0.40) CHRM4DRD4HTR2ADRD2ATM
SCHEMBL27848836 0.85 L3MBTL1 (0.48) ATML3MBTL1BCHEACHECNR2
SCHEMBL2903682 0.85 PDE2A (0.41) PDE2ADRD4DRD2ATML3MBTL1
SCHEMBL2903669 0.84 PSEN1 (0.39) DRD4DRD2
SCHEMBL27848808 0.83 L3MBTL1 (0.44) PDE2AATML3MBTL1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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 (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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 CHRM4 623/4885PDE2A 1637/4885DRD4 1792/4885

“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.