SCHEMBL18925005

SCHEMBL18925005

CS(=O)(=O)NC1CCN(I)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
EPHX2 P34913 1/20 0.35
PDE10A Q9Y233 1/20 0.32
SMO Q99835 8/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
IRAK1 P51617 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CTSB P07858 3/20 0.30
CTSK P43235 3/20 0.30
UCHL1 P09936 2/20 0.30
CTSS P25774 2/20 0.30
CTSC P53634 2/20 0.30
USP30 Q70CQ3 2/20 0.30
CTSL P07711 1/20 0.30
LTA4H P09960 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
SCHEMBL18123328 1.00 AKT1 (0.38) AKT1EPHX2PDE10ASMOOPRM1
SCHEMBL21556664 1.00 AKT1 (0.38) AKT1EPHX2PDE10ASMOOPRM1
SCHEMBL21422792 0.89 EPHX2 (0.42) AKT1EPHX2OPRM1OPRD1OPRK1
SCHEMBL18123295 0.88 CA12 (0.37) AKT1SMOLTA4H
SCHEMBL799022 0.78 AKT1 (0.39) AKT1EPHX2PDE10ASMOOPRM1
SCHEMBL799561 0.78 AKT1 (0.39) AKT1EPHX2PDE10ASMOOPRM1
SCHEMBL799377 0.78 AKT1 (0.39) AKT1EPHX2PDE10ASMOOPRM1
SCHEMBL16368600 0.77 AKT1 (0.39) AKT1EPHX2PDE10ASMOOPRM1
SCHEMBL16072923 0.77 AKT1 (0.39) AKT1EPHX2PDE10ASMOOPRM1
SCHEMBL13382854 0.76 AKT1 (0.41) AKT1EPHX2PDE10ASMOOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021214117-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-10-28 WO disclosed
US-10196402-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2019-02-05 US disclosed
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 US disclosed
WO-2017186148-A1 NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS ASTAR BIOTECH LLC (US) 2017-11-02 WO disclosed
US-9670222-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2017-06-06 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 (2 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-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 AKT1 3541/4885EPHX2 537/4885PDE10A 2854/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 AKT1 3582/4885EPHX2 527/4885PDE10A 2639/4885

“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.