SCHEMBL8536620

SCHEMBL8536620

C=C1COC[C@]2(C)Oc3ccc(Br)cc3C[C@@H]12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.32
PNMT P11086 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
BACE1 P56817 1/20 0.31
ENTPD5 O75356 1/20 0.31
PBRM1 Q86U86 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
SCHEMBL8539054 0.85 PBRM1 (0.35) ADRA2APNMTADRA2BADRA2CBACE1
SCHEMBL8536924 0.74 ENTPD5 (0.34) ADRA2APNMTADRA2BADRA2CBACE1
SCHEMBL8513012 0.72 ALDH1A1 (0.39)
SCHEMBL8513008 0.72 ALDH1A1 (0.39)
SCHEMBL8513011 0.72 ALDH1A1 (0.39)
SCHEMBL8532278 0.69 BACE1 (0.33) BACE1PBRM1
SCHEMBL9633675 0.67 HIF1A (0.52) ADRA2APNMTADRA2BADRA2CPBRM1
SCHEMBL9931351 0.64 PBRM1 (0.38) BACE1PBRM1
SCHEMBL828814 0.64 FAAH (0.39) ADRA2APNMTADRA2BADRA2CBACE1
SCHEMBL8679978 0.64 METAP1 (0.39) ADRA2APNMTADRA2BADRA2CPBRM1

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 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 (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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 ADRA2A 3254/4885PNMT 1564/4885ADRA2B 2864/4885

“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.