SCHEMBL933432

SCHEMBL933432

C=CCC(O)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
CYP2C19 P33261 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.37
TGM2 P21980 1/20 0.37
LMNA P02545 1/20 0.36
CTSA P10619 1/20 0.36
MAPT P10636 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
SCHEMBL934564 0.87 SLC18A3 (0.38) SLC18A3SIGMAR1CYP2C19IDO1TDO2
SCHEMBL2184396 0.81 IDO1 (0.40) CYP2C19IDO1TDO2SLC6A2SLC6A4
SCHEMBL23141402 0.80 HIF1A (0.54) CYP2C19CYP3A4SLC6A3LMNA
SCHEMBL15184685 0.79 HRH3 (0.44) SLC18A3SIGMAR1CYP2C19
SCHEMBL2754733 0.79 SLC18A3 (0.46) SLC18A3SIGMAR1IDO1TDO2SLC6A2
SCHEMBL13662800 0.79 HRH3 (0.44) SLC18A3SIGMAR1CYP2C19
SCHEMBL5153023 0.79 HRH3 (0.44) SLC18A3SIGMAR1CYP2C19
SCHEMBL2893002 0.79 SLC18A3 (0.46) SLC18A3SIGMAR1IDO1TDO2SLC6A2
SCHEMBL2794393 0.79 PARP1 (0.40) CYP2C19IDO1TDO2SLC6A2SLC6A4
SCHEMBL14465268 0.79 CYP2C19 (0.40) CYP2C19SLC6A2SLC6A4CYP3A4CYP2D6

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 14 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
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-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US 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-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
EP-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO 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 SLC18A3 1069/4885SIGMAR1 4378/4885CYP2C19 1104/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP SLC18A3 1069/4885SIGMAR1 4378/4885CYP2C19 1104/4885

“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.