Iodomethane

Iodomethane

SCHEMBL4114022

CI.COC[C@@H](NC(=O)c1nc(-c2cc(F)c(F)cc2F)n2c1CN(C)CCC2)C(C)(C)C

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
DPP4 P27487 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MAP3K14 Q99558 2/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 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
Iodomethane SCHEMBL4114027 1.00 CNR2 (0.47) CNR2DPP4MTNR1AMTNR1BMAP3K14
SCHEMBL4108077 0.88 CNR2 (0.51) CNR2DPP4MAP3K14
SCHEMBL4113822 0.88 CNR2 (0.51) CNR2DPP4MAP3K14
SCHEMBL4108079 0.88 CNR2 (0.51) CNR2DPP4MAP3K14
SCHEMBL4121686 0.87 CNR2 (0.53) CNR2TP53THRBBLM
SCHEMBL4121684 0.87 CNR2 (0.53) CNR2TP53THRBBLM
SCHEMBL4122489 0.84 CNR2 (0.57) CNR2DPP4MTNR1AMTNR1BMAP3K14
SCHEMBL13798753 0.84 CNR2 (0.34) CNR2DPP4MAP3K14
SCHEMBL4116388 0.82 CNR2 (0.61) CNR2MAP3K14TP53THRBBLM
SCHEMBL4110093 0.82 CNR2 (0.52) CNR2MAP3K14

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 disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885DPP4 4359/4885MTNR1A 136/4885

“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.