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SCHEMBL4476343

SCHEMBL4476343

CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)N(CC1CCCCC1)C2CO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 8/20 0.47
▸ EPHX1 P07099 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ BACE1 P56817 3/20 0.38
▸ CTSD P07339 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ NR1H2 P55055 1/20 0.37

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
SCHEMBL4461555 0.88 CCR5 (0.46) CCR5EPHX1HPGDBACE1CTSD
SCHEMBL4473453 0.83 CCR5 (0.69) CCR5
SCHEMBL4473543 0.77 CCR5 (0.44) CCR5MEN1KMT2AMAPT
SCHEMBL4461868 0.73 CCR5 (0.47) CCR5BACE1
SCHEMBL18075911 0.73 DDB1 (0.40) CCR5EPHX1HPGDKDM4EMAPT
SCHEMBL4461843 0.72 CCR5 (0.60) CCR5MEN1KMT2A
SCHEMBL1969568 0.70 EPHX1 (0.54) EPHX1HPGDMEN1KMT2AMAPT
SCHEMBL8893259 0.70 SLC6A9 (0.50) CCR5EPHX1HPGDBACE1CTSD
SCHEMBL1307642 0.69 EPHX1 (0.51) EPHX1HPGDKDM4EMAPTDDB1
SCHEMBL13864794 0.69 CCR5 (0.66) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 — — US disclosed
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 — — US disclosed
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 — — US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 — — US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 — — US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 — — US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 — — US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 — — US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 — — US disclosed
US-20050176703-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2005-08-11 — — 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-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 CCR5 1/4885EPHX1 2710/4885HPGD 634/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 CCR5 1/4885EPHX1 2710/4885HPGD 634/4885

“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.