SCHEMBL5478973

SCHEMBL5478973

CC(C)Oc1cccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cc(F)ccc2-c2ccc(N)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
BACE1 P56817 3/20 0.36
CCR3 P51677 2/20 0.35
KAT2B Q92831 1/20 0.35
FAAH O00519 1/20 0.34
ACKR3 P25106 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL592322 0.91 PRKAA2 (0.35) KCNH2MCHR1BACE1KAT2BFAAH
SCHEMBL594333 0.91 FAAH (0.35) KCNH2MCHR1BACE1KAT2BFAAH
SCHEMBL10183012 0.91 BACE1 (0.34) KCNH2MCHR1BACE1KAT2BFAAH
SCHEMBL593414 0.91 POLB (0.34) KCNH2MCHR1BACE1CCR3KAT2B
SCHEMBL593704 0.90 ALDH1A1 (0.39) KCNH2BACE1FAAH
SCHEMBL593222 0.90 JAK2 (0.34) KCNH2MCHR1BACE1KAT2BFAAH
SCHEMBL8268428 0.90 ROCK2 (0.34) KCNH2MCHR1BACE1KAT2BFAAH
SCHEMBL593626 0.90 KAT2B (0.38) KCNH2MCHR1BACE1KAT2B
SCHEMBL594013 0.90 FAAH (0.39) KCNH2MCHR1BACE1KAT2BFAAH
SCHEMBL594170 0.89 BACE1 (0.36) KCNH2MCHR1BACE1KAT2BFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 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-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease BACE1, BACE2, APP KCNH2 1880/4885MCHR1 4418/4885BACE1 1/4885

“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.