SCHEMBL4128472

SCHEMBL4128472

CC(C)(C)C([NH])C(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
PTGS1 P23219 1/20 0.46
KCNH2 Q12809 1/20 0.46
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
CNR1 P21554 2/20 0.33
RAB9A P51151 1/20 0.33
VNN1 O95497 4/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ECE1 P42892 1/20 0.31
CXCL8 P10145 1/20 0.31

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
SCHEMBL4125963 0.82 PTGS1 (0.37) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL4115909 0.79 PTGS1 (0.35) USP2PTGS1KCNH2TSHR
SCHEMBL4128353 0.79 DNM1 (0.39) USP2MEN1KMT2AALDH1A1PTGS1
SCHEMBL4126930 0.78 TSHR (0.33) USP2KMT2APTGS1KCNH2TSHR
SCHEMBL4109407 0.77 CTSS (0.36) USP2MAPTPTGS1KCNH2TSHR
SCHEMBL14108224 0.77 USP2 (0.52) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL28822548 0.75 USP2 (0.50) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL13588554 0.75 USP2 (0.50) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL1337609 0.75 USP2 (0.50) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL5537815 0.75 USP2 (0.50) USP2MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 USP2 3764/4885MEN1 3773/4885KMT2A 2931/4885

“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.