SCHEMBL3285287

SCHEMBL3285287

Cc1ccc(NC(=O)CCN2CC3(C)CN(C(=O)c4c(C)ccnc4C)CC3(C)C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4691945 0.91 TP53 (0.44) TP53LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL3285294 0.86 CCR5 (0.38) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL3282221 0.85 CCR5 (0.51) TP53LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL4691648 0.84 TP53 (0.43) TP53LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL4693617 0.79 CCR5 (0.51) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL4692103 0.77 CCNC (0.36) TP53LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL4691951 0.76 SMN1; SMN2 (0.39) TP53LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL3283591 0.75 CCL5 (0.51)
SCHEMBL3283571 0.74 CCR5 (0.44) TP53LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL3285290 0.72 CCR5 (0.38)

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 TP53 4359/4885LMNA 4348/4885ALDH1A1 1773/4885

“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.