SCHEMBL968890

SCHEMBL968890

C=CCC(O)c1ccc(F)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 1/20 0.33
DPP4 P27487 1/20 0.33
PARP1 P09874 2/20 0.32
VCP P55072 1/20 0.31
CYP2C19 P33261 2/20 0.31
IGF1R P08069 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL966869 0.88 ADRB1 (0.34) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL7184756 0.87 HRH3 (0.35) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL13451176 0.79 CYP3A4 (0.42) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL23231419 0.77 LMNA (0.44) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL8282358 0.77 LMNA (0.44) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL5153023 0.76 HRH3 (0.44) HRH3CYP2C19IGF1RCYP1A2
SCHEMBL13662800 0.76 HRH3 (0.44) HRH3CYP2C19IGF1RCYP1A2
SCHEMBL15184685 0.76 HRH3 (0.44) HRH3CYP2C19IGF1RCYP1A2
SCHEMBL3195970 0.76 ADRB1 (0.39) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL970319 0.75 ADRA2A (0.37) ADRB1ADRA2AADRB3ADRA2BADRA2C

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
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
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 ADRB1 1458/4885ADRA2A 3713/4885ADRB3 2547/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP ADRB1 1458/4885ADRA2A 3713/4885ADRB3 2547/4885

“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.