SCHEMBL1017887

SCHEMBL1017887

OC(c1ccccc1Br)C1CCOC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CFTR P13569 1/20 0.31
OPRL1 P41146 1/20 0.31
ICMT O60725 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
SCHEMBL30692379 0.85 PDE2A (0.30)
SCHEMBL9518044 0.81 SLC18A3 (0.44) SLC18A3SIGMAR1CFTROPRL1
SCHEMBL6745262 0.81 SLC18A3 (0.44) SLC18A3SIGMAR1CFTROPRL1
SCHEMBL6744668 0.81 SLC18A3 (0.44) SLC18A3SIGMAR1CFTROPRL1
SCHEMBL1008634 0.81 PDE2A (0.39)
SCHEMBL31521292 0.81 OPRL1 (0.38) OPRL1
SCHEMBL28300325 0.76 KDM4E (0.43)
SCHEMBL1010807 0.75 CES2 (0.39)
SCHEMBL30692412 0.75 PDE2A (0.34) SLC18A3SIGMAR1
SCHEMBL30692418 0.71 KDM1A (0.30)

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 SLC18A3 1069/4885SIGMAR1 4378/4885CFTR 3006/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP SLC18A3 1069/4885SIGMAR1 4378/4885CFTR 3006/4885

“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.