SCHEMBL3284097

SCHEMBL3284097

Cc1ccc(NCCCN2CC3CN(C(=O)c4cccc(C)c4Br)CC3C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MGLL Q99685 1/20 0.40
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
AGTR1 P30556 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
SCHEMBL4692676 0.91 P2RX7 (0.45) CCR5ALDH1A1MAPTMGLLHCRTR1
SCHEMBL4691872 0.91 HCRTR1 (0.47) CCR5ALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL4692889 0.91 MAPT (0.45) CCR5ALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL4692999 0.90 CCR5 (0.40) CCR5ALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL4693961 0.90 HCRTR1 (0.46) CCR5ALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL4691764 0.90 CCR5 (0.42) CCR5ALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL4692218 0.89 CCR5 (0.42) CCR5ALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL4694356 0.89 P2RX7 (0.43) CCR5ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL4693334 0.89 ALDH1A1 (0.45) CCR5ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL4691305 0.88 MAPT (0.42) CCR5ALDH1A1MAPTHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
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-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 (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-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CCR5 1/4885ALDH1A1 1773/4885MAPT 3850/4885

“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.