SCHEMBL4126930

SCHEMBL4126930

CCNC(=O)C([NH])C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.31
FAAH O00519 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL4126708 0.78 FPR2 (0.35) PTGS1KCNH2
SCHEMBL4128472 0.78 USP2 (0.50) TSHRUSP2PTGS1KCNH2KMT2A
SCHEMBL4116094 0.77 PTGS1 (0.30) PTGS1KCNH2
SCHEMBL4125963 0.77 PTGS1 (0.37) TSHRUSP2PTGS1KCNH2KMT2A
SCHEMBL9963457 0.74 TSHR (0.37) TSHRUSP2MMP1MMP2MMP3
SCHEMBL9965559 0.74 PTGS1 (0.41) TSHRUSP2MMP1MMP2MMP3
SCHEMBL14111953 0.74 PTGS1 (0.41) TSHRUSP2MMP1MMP2MMP3
SCHEMBL13821899 0.74 TSHR (0.37) TSHRUSP2MMP1MMP2MMP3
SCHEMBL13575676 0.74 TSHR (0.37) TSHRUSP2MMP1MMP2MMP3
SCHEMBL4128353 0.74 DNM1 (0.39) TSHRUSP2PKMPTGS1KCNH2

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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
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 TSHR 1095/4885USP2 3764/4885MMP1 2712/4885

“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.