SCHEMBL254104

SCHEMBL254104

CC(C)CCCCCCNC(=O)CON

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
CASP2 P42575 1/20 0.38
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.37
NAMPT P43490 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
HPGD P15428 2/20 0.36
NAAA Q02083 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.35
PAOX Q6QHF9 1/20 0.35

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
SCHEMBL20034810 0.98 FAAH (0.41) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL21016081 0.84 FAAH (0.45) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL18159035 0.83 FAAH (0.38) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL22872813 0.83 FAAH (0.44) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL26691656 0.83 FAAH (0.44) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL14996240 0.82 TSHR (0.43) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL20034909 0.82 FAAH (0.37) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL23589915 0.81 FAAH (0.42) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL21015937 0.81 FAAH (0.42) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL23589700 0.81 FAAH (0.42) FAAHKMT2ASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459565-B1 SAXITOXIN DERIVATIVES, METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN UNIV LELAND STANFORD JUNIOR (US) 2018-05-02 EP disclosed
US-9174999-B2 Methods and compositions for studying, imaging, and treating pain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-11-03 US disclosed
WO-2010129864-A9 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-03-08 WO disclosed
US-20100284913-A1 Methods and compositions for studying, imaging, and treating pain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2010-11-11 US disclosed
WO-2010129864-A2 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-11-11 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-20100284913-A1 Methods and compositions for studying, imaging, and treating pain INA, SCN3A, SCN9A FAAH 2914/4885KMT2A 1792/4885SMN1; SMN2 45/4885

“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.