SCHEMBL3277897

SCHEMBL3277897

CCOC(=O)c1c(C)cc(I)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ADORA3 P0DMS8 2/20 0.46
PDE4D Q08499 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL7362801 0.83 POLB (0.60) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL9523494 0.81 ALDH1A1 (0.53) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL1296287 0.81 CYP3A4 (0.56) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL1085394 0.80 SMN1; SMN2 (0.50) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL22453926 0.80 SMN1; SMN2 (0.52) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL13934247 0.80 SMN1; SMN2 (0.50) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL22445781 0.79 SMN1; SMN2 (0.49) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL22454038 0.79 SMN1; SMN2 (0.49) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL4253373 0.79 POLB (0.49) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL22445798 0.78 CYP3A4 (0.52) SMN1; SMN2CYP3A4TDP1KDM4EALDH1A1

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
EP-2066674-B1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-2066674-A1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 US disclosed
WO-2008034731-A1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO 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-20080103125-A1 Heterocylic antiviral compounds CCR5, ACKR3, CXCR3 SMN1; SMN2 4359/4885CYP3A4 1484/4885TDP1 3884/4885

“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.