SCHEMBL4128353

SCHEMBL4128353

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LGALS1 P09382 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14108225 0.79 ALDH1A1 (0.42) DNM1ALDH1A1KDM4EPKMMAPK1
SCHEMBL4128472 0.79 USP2 (0.50) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL7887577 0.78 DPP4 (0.40) DNM1ALDH1A1KDM4EPKMMAPK1
SCHEMBL4128357 0.78 DPP4 (0.40) DNM1ALDH1A1KDM4EPKMMAPK1
SCHEMBL4125963 0.77 PTGS1 (0.37) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL26293201 0.76 ALDH1A1 (0.42) DNM1ALDH1A1KDM4EPKMMAPK1
SCHEMBL15705557 0.75 PTGS1 (0.65) DNM1ALDH1A1KDM4EPKMPTGS1
SCHEMBL15371671 0.75 ALDH1A1 (0.37) DNM1ALDH1A1KDM4EPKMMAPK1
SCHEMBL4115909 0.74 PTGS1 (0.35) USP2TSHRPTGS1KCNH2
SCHEMBL4126930 0.74 TSHR (0.33) PKMUSP2TSHRKMT2APTGS1

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 DNM1 2351/4885ALDH1A1 1759/4885KDM4E 3477/4885

“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.