SCHEMBL25366193

SCHEMBL25366193

CC(C)(C)[Si](C)(C)OCCN1CCC(OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.50
PRMT6 Q96LA8 4/20 0.50
PRMT8 Q9NR22 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
BCHE P06276 5/20 0.45
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRMT3 O60678 1/20 0.42
NAAA Q02083 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL31057220 0.81 LTA4H (0.45) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL25366149 0.81 CARM1 (0.56) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL25365399 0.79 SLC18A3 (0.49) CARM1PRMT6SIGMAR1HTR1BALDH1A1
SCHEMBL3835337 0.79 OPRM1 (0.44) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL3835338 0.79 OPRM1 (0.44) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL31057226 0.77 LTA4H (0.51) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL25365519 0.77 GRIN1 (0.32)
SCHEMBL31716242 0.77 CTSL (0.53) ALDH1A1
SCHEMBL31215460 0.77 CTSL (0.53) ALDH1A1
SCHEMBL24213030 0.76 CARM1 (0.59) CARM1PRMT6PRMT8TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
CN-116568675-A Cyclic isothiourea derivatives as CXCR4 modulators 埃尔米乌治疗公司 2023-08-08 CN disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO 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-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 CARM1 2808/4885PRMT6 2407/4885PRMT8 2141/4885

“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.