SCHEMBL14694686

SCHEMBL14694686

CC(C)(C)N(C(=O)O)C(c1ccccc1)c1cccc(OCCc2ccc(Br)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SLC2A1 P11166 2/20 0.44
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.42
FFAR1 O14842 1/20 0.41
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2 P10415 1/20 0.38

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
SCHEMBL15768401 0.78 LMNA (0.40) PPARDPPARAPPARGALOX5MEN1
SCHEMBL15768398 0.78 LMNA (0.40) PPARDPPARAPPARGALOX5MEN1
SCHEMBL16243710 0.78 LMNA (0.42) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL14240780 0.76 MEN1 (0.46) SIRT2PPARDPPARAPPARGFFAR1
SCHEMBL14166023 0.75 SIRT2 (0.51) SIRT2SLC2A1FFAR1MEN1KMT2A
SCHEMBL14694890 0.75 ALDH1A1 (0.41) FFAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL14695742 0.74 CHRM3 (0.44) SIRT2
SCHEMBL14695744 0.74 CHRM3 (0.44) SIRT2
SCHEMBL14695746 0.74 CHRM3 (0.44) SIRT2
SCHEMBL14241193 0.74 SIRT2 (0.48) SIRT2SLC2A1FFAR1KMT2AMAOA

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-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B SIRT2 1257/4885SLC2A1 3617/4885PPARD 340/4885

“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.