SCHEMBL25366149

SCHEMBL25366149

CC(C)(C)[Si](C)(C)OCCN1CCC(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.56
PRMT6 Q96LA8 4/20 0.56
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
CCR3 P51677 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
PRMT3 O60678 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
GRIN2B Q13224 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL25365399 0.81 SLC18A3 (0.49) CARM1PRMT6SIGMAR1
SCHEMBL25366193 0.81 CARM1 (0.50) CARM1PRMT6TMEM97SIGMAR1HRH3
SCHEMBL4110162 0.78 CCR3 (0.48) SIGMAR1CCR3
SCHEMBL31716242 0.74 CTSL (0.53) KCNH2
SCHEMBL31215460 0.74 CTSL (0.53) KCNH2
SCHEMBL19363866 0.73 KCNH2 (0.74) CARM1PRMT6TMEM97SIGMAR1CCR3
Hydrochloric Acid SCHEMBL25367642 0.73 CARM1 (0.67) CARM1PRMT6SIGMAR1CCR3PRMT3
SCHEMBL25369831 0.73 HRH3 (0.33) HRH3
SCHEMBL25363394 0.73 HRH3 (0.33) HRH3
SCHEMBL25363396 0.73 HRH3 (0.33) HRH3

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 2407/4885TMEM97 652/4885

“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.