SCHEMBL3283157

SCHEMBL3283157

CC(CC(NC(=O)OC(C)(C)C)c1ccccc1)N1CC2=CNCC2C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.40
CTSL P07711 1/20 0.38
CTSK P43235 3/20 0.38
CXCR3 P49682 1/20 0.37
CTSS P25774 1/20 0.37
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3283153 0.81 CCR5 (0.44) CCR5CTSLCTSKCXCR3CTSS
SCHEMBL5528940 0.74 CCR5 (0.39) CCR5CTSKCTSSKCNH2NPSR1
SCHEMBL13929428 0.72 LMNA (0.58) CTSLCTSKCTSSMEN1KMT2A
SCHEMBL14011507 0.72 LMNA (0.58) CTSLCTSKCTSSMEN1KMT2A
SCHEMBL13996047 0.72 LMNA (0.58) CTSLCTSKCTSSMEN1KMT2A
SCHEMBL15311487 0.70 CTSK (0.51) CTSLCTSKCTSSMEN1KMT2A
SCHEMBL13742885 0.70 CCR5 (0.73) CCR5KCNH2
SCHEMBL13743089 0.70 CCR5 (0.49) CCR5KCNH2
SCHEMBL13326683 0.68 CCR5 (0.50) CCR5CTSKCTSS
SCHEMBL14440789 0.68 CCR5 (0.50) CCR5CTSKCTSS

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-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 US disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 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-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CCR5 1/4885CTSL 1986/4885CTSK 2833/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CCR5 1/4885CTSL 1986/4885CTSK 2833/4885

“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.