SCHEMBL4128271

SCHEMBL4128271

CC(=O)NCC(N)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
PAOX Q6QHF9 2/20 0.34
MTNR1A P48039 7/20 0.34
MTNR1B P49286 7/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
SYK P43405 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
PCNA P12004 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
SCHEMBL354239 0.82 CYP2D6 (0.50) ALDH1A1SYKCYP2D6CYP2C19
SCHEMBL12442980 0.80 KDM4E (0.34) KDM4EMAPK1HIF1APAOXMTNR1A
SCHEMBL8255995 0.78 SYK (0.32) SYK
SCHEMBL8225884 0.78 SYK (0.32) SYK
SCHEMBL8225897 0.78 SYK (0.32) SYK
SCHEMBL4683204 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2723468 0.75 MEN1 (0.46) KDM4ESYKCYP2D6
SCHEMBL2723471 0.75 MEN1 (0.46) KDM4ESYKCYP2D6
SCHEMBL13559963 0.75
SCHEMBL13779167 0.74 MTNR1A (0.39) KDM4EMAPK1HIF1APAOXMTNR1A

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 KDM4E 3477/4885MAPK1 664/4885HIF1A 1047/4885

“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.