SCHEMBL971142

SCHEMBL971142

BrC1(c2ccccc2)CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HDAC4 P56524 1/20 0.36
OPRM1 P35372 2/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
PNMT P11086 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL968174 0.84 HDAC4 (0.42) HDAC4OPRM1OPRK1OPRL1PNMT
SCHEMBL22661007 0.76 OPRM1 (0.46) SLC6A4SLC6A3HDAC4OPRM1OPRK1
SCHEMBL2969527 0.74 OPRM1 (0.44) OPRM1OPRK1OPRL1PNMTMAOA
SCHEMBL29976718 0.71 OPRM1 (0.39) SLC6A4SLC6A3HDAC4OPRM1OPRK1
SCHEMBL15954140 0.70 DPP4 (0.41) SLC6A4SLC6A3OPRM1OPRK1OPRL1
SCHEMBL8330377 0.70 OPRM1 (0.37) SLC6A4SLC6A3OPRM1OPRK1OPRL1
SCHEMBL7192009 0.69 SLC6A4 (0.47) SLC6A4SLC6A3OPRM1DPP4
SCHEMBL7356520 0.66 PNMT (0.44) HDAC4PNMTMAOAMAOB
SCHEMBL8330382 0.65 OPRM1 (0.61) OPRM1OPRK1OPRL1MEN1CYP2C9
SCHEMBL3898162 0.62 MAOA (0.47) SLC6A4SLC6A3OPRM1OPRL1MAOA

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 SLC6A4 3355/4885SLC6A3 1985/4885HDAC4 3363/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP SLC6A4 3355/4885SLC6A3 1985/4885HDAC4 3363/4885

“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.