SCHEMBL22498058

SCHEMBL22498058

COC(=O)CCc1ccc2c(n1)NCCC2

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.57
ITGB3 P05106 14/20 0.57
CXCR4 P61073 4/20 0.56
ITGB6 P18564 7/20 0.55
ITGB5 P18084 6/20 0.53
ITGB8 P26012 5/20 0.53
ITGA2B P08514 1/20 0.51

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
SCHEMBL23542430 0.93 ITGAV (0.61) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL5251099 0.91 ITGAV (0.66) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL6424829 0.90 ITGAV (0.65) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL6421229 0.90 ITGAV (0.65) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5252354 0.88 ITGAV (0.53) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL15062815 0.87 CXCR4 (0.53) ITGAVITGB3CXCR4ITGB6ITGB5
Hydrochloric Acid SCHEMBL3103027 0.86 CXCR4 (0.52) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL760607 0.84 ITGB3 (0.69) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL25638062 0.82 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL13007683 0.82 ITGAV (0.63) ITGAVITGB3ITGB6ITGB5ITGB8

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
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-05-12 US disclosed
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-05-12 US disclosed
EP-3947394-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-02-09 EP disclosed
CN-113939521-A Imidazoline derivatives as CXCR4 modulators 巴黎大学 2022-01-14 CN disclosed
WO-2020201096-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2020-10-08 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-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCL12, CXCR1 ITGAV 934/4885ITGB3 887/4885CXCR4 1/4885

“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.