SCHEMBL2016545

SCHEMBL2016545

COC(=O)N(C)CCc1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
ACHE P22303 6/20 0.47
RIPK1 Q13546 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
PTGES O14684 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL3012881 0.85 TAAR1 (0.55) TAAR1ACHERIPK1SIGMAR1KDM4E
SCHEMBL18892527 0.83 TAAR1 (0.54) TAAR1ACHERIPK1SIGMAR1KMT2A
SCHEMBL18316992 0.83 TAAR1 (0.65) TAAR1RIPK1SIGMAR1PTGESKMT2A
SCHEMBL2018753 0.81 TAAR1 (0.55) TAAR1SIGMAR1KMT2AKDM4EALDH1A1
SCHEMBL2097870 0.81 NPY5R (0.56) TAAR1KMT2A
SCHEMBL16297341 0.80 TAAR1 (0.50) TAAR1ACHERIPK1SIGMAR1KMT2A
SCHEMBL8586151 0.78 CCR6 (0.42) ACHEKMT2AALDH1A1
SCHEMBL552436 0.76 TAAR1 (1.00) TAAR1ACHESIGMAR1
SCHEMBL6378 0.75 TAAR1 (0.53) TAAR1PTGESMAOB
SCHEMBL29970923 0.75 TAAR1 (0.53) TAAR1PTGESMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 TAAR1 4723/4885ACHE 2300/4885RIPK1 2969/4885

“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.