SCHEMBL4465073

SCHEMBL4465073

CCCCC1N(CC2CCCCC2)C(C(=O)OCc2ccccc2)OC12CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.41
FKBP1A P62942 3/20 0.37
TLR2 O60603 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5081558 0.78 CCR5 (0.51) CCR5
SCHEMBL5081555 0.70 CCR5 (0.51) CCR5
SCHEMBL4465064 0.70 CCR5 (0.53) CCR5
SCHEMBL4461843 0.70 CCR5 (0.60) CCR5
SCHEMBL4465069 0.68 CCR5 (0.51) CCR5
SCHEMBL4458354 0.65 CCR5 (0.56) CCR5
SCHEMBL7369382 0.65 TSHR (0.46) FKBP1ATSHR
SCHEMBL23655138 0.65 TSHR (0.56) FKBP1ATSHR
SCHEMBL22253312 0.64 TSHR (0.43) TSHR
SCHEMBL24433396 0.64 TSHR (0.43) TSHR

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 3 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-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 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 1/4885FKBP1A 942/4885TLR2 32/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 CCR5 1/4885FKBP1A 942/4885TLR2 32/4885

“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.