SCHEMBL1784095

SCHEMBL1784095

CC(C)(C)N(C(=O)O)C1Cc2ccc(Br)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.39
ADRA2A P08913 4/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
PRMT5 O14744 1/20 0.33
FAAH O00519 1/20 0.33
METAP1 P53582 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL589241 0.89 FAAH (0.40) PNMTADRA2AADRA2BADRA2CSRD5A1
SCHEMBL1027767 0.81 NPY5R (0.41) ADRA2C
SCHEMBL22534359 0.80 PNMT (0.41) PNMTADRA2AADRA2BADRA2CSRD5A1
SCHEMBL1791020 0.79 PNMT (0.40) PNMT
SCHEMBL30787846 0.74 AAK1 (0.38) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL22547916 0.74 AAK1 (0.38) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL10617679 0.74 KDM4E (0.36)
SCHEMBL17746131 0.73 MCHR1 (0.33) PNMTADRA2AADRA2BADRA2CPRMT5
SCHEMBL1827400 0.73 SRD5A1 (0.40) SRD5A1SRD5A2
SCHEMBL354165 0.73 DRD2 (0.61)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 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 (1 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 PNMT 486/4885ADRA2A 13/4885ADRA2B 14/4885

“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.