SCHEMBL1008632

SCHEMBL1008632

OC(F)(c1ccccc1)C1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HRH1 P35367 2/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CHRM3 P20309 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1017886 0.81 CYP2D6 (0.43) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL1010808 0.77 MEN1 (0.33) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL28979281 0.73 LMNA (0.46) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL5731346 0.72 TSHR (0.41) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL8229265 0.71 CYP2D6 (0.40) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL6650588 0.67 KEAP1 (0.40) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL28237775 0.67 CYP19A1 (0.35) RAB9AICMTSMN1; SMN2
SCHEMBL8812545 0.66 HRH1 (0.73) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL8812539 0.66 HRH1 (0.73) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL894817 0.66 HRH1 (0.73) LMNACYP2D6MEN1KMT2AHRH1

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
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP LMNA 1737/4885CYP2D6 1293/4885MEN1 2551/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP LMNA 1737/4885CYP2D6 1293/4885MEN1 2551/4885

“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.