SCHEMBL11903053

SCHEMBL11903053

Cc1ccccc1[C@H]1CN[C@@H](CC(C)C)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.43
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
PBRM1 Q86U86 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
GHSR Q92847 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
HTR2C P28335 3/20 0.33
CCR5 P51681 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
FFAR3 O14843 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
SCHEMBL11902830 0.85 PRCP (0.42) PRCPGAAHTTPAX8TNKS2
SCHEMBL11902624 0.85 PRCP (0.42) PRCPGAAHTTPAX8TNKS2
SCHEMBL11902412 0.82 PRCP (0.42) PRCPGAAHTTPAX8GHSR
SCHEMBL11902758 0.82 PRCP (0.42) PRCPGAAHTTPAX8GHSR
SCHEMBL11902834 0.78 PRCP (0.35) PRCPGAAHTTPAX8TNKS2
SCHEMBL11902694 0.76 KDM4E (0.36) PRCPGAAHTTALDH1A1
SCHEMBL11902602 0.76 KDM4E (0.36) PRCPGAAHTTALDH1A1
SCHEMBL11902096 0.75 PRCP (0.32) PRCPGAAHTTPAX8
SCHEMBL11902910 0.75 PRCP (0.32) PRCPGAAHTTPAX8
SCHEMBL11903285 0.75 ALDH1A1 (0.35) PRCPGAAHTTPAX8ALDH1A1

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
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 PRCP 997/4885DDB1 908/4885CRBN 4031/4885

“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.