SCHEMBL968174

SCHEMBL968174

BrC1(c2ccccc2)CC=CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
OPRM1 P35372 2/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MAOB P27338 7/20 0.34
MAOA P21397 4/20 0.34
PNMT P11086 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL971142 0.84 SLC6A4 (0.36) HDAC4OPRM1OPRK1OPRL1MAOB
SCHEMBL2969527 0.78 OPRM1 (0.44) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL15954140 0.74 DPP4 (0.41) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL8330377 0.73 OPRM1 (0.37) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL7192009 0.72 SLC6A4 (0.47) OPRM1DPP4
SCHEMBL8330382 0.69 OPRM1 (0.61) OPRM1OPRK1OPRL1MEN1CYP2C9
SCHEMBL7356520 0.68 PNMT (0.44) HDAC4MAOBMAOAPNMT
SCHEMBL28524217 0.68 OPRL1 (0.47) HDAC4OPRM1OPRK1OPRL1
SCHEMBL276639 0.66 HDAC4 (0.32) HDAC4OPRM1OPRK1OPRL1
SCHEMBL22661007 0.65 OPRM1 (0.46) HDAC4OPRM1OPRK1OPRL1MAOB

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 HDAC4 3363/4885OPRM1 4045/4885OPRK1 3426/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP HDAC4 3363/4885OPRM1 4045/4885OPRK1 3426/4885

“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.