SCHEMBL22498129

SCHEMBL22498129

IC1CCN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.62
▸ BCHE P06276 8/20 0.57
▸ BACE1 P56817 8/20 0.57
▸ CCR3 P51677 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ SIGMAR1 Q99720 2/20 0.55
▸ DRD2 P14416 2/20 0.53
▸ DRD4 P21917 2/20 0.53
▸ DRD3 P35462 2/20 0.53

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
Hydrochloric Acid SCHEMBL22498123 0.98 ACHE (0.61) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL21419827 0.89 CYP2D6 (0.66) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL22755862 0.89 CYP2D6 (0.66) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL2005970 0.89 ACHE (0.67) ACHEBCHEBACE1CCR3ALDH1A1
SCHEMBL14742553 0.84 FUCA1 (0.60) ACHECCR3CYP1A2CYP3A4CYP2D6
SCHEMBL1286699 0.81 ACHE (0.79) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL359069 0.81 ACHE (0.79) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL358435 0.81 ACHE (0.79) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL20624040 0.80 ACHE (0.60) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL1848011 0.79 ACHE (0.59) ACHEBCHEBACE1CCR3CYP1A2

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 6 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
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 ACHE 4865/4885BCHE 4882/4885BACE1 4707/4885

“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.

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