SCHEMBL491579

SCHEMBL491579

Cc1[c]c(C)nc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8302225 0.85 HTT (0.31) HTT
SCHEMBL4170447 0.79
SCHEMBL175478 0.71 ALDH1A1 (0.33) HTTKDM4EALDH1A1CYP1A2POLB
SCHEMBL10271824 0.71
SCHEMBL13721848 0.71
SCHEMBL791313 0.69 HTT (0.30) HTT
SCHEMBL423190 0.69 HTT (0.35) HTTKDM4EALDH1A1CYP1A2POLB
SCHEMBL8303728 0.69
SCHEMBL8444118 0.67
SCHEMBL25164034 0.67 HTT (0.34) HTTKDM4EALDH1A1CYP1A2POLB

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-02-23 EP claimed
EP-2066674-B1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP claimed
EP-2142555-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-13 EP claimed
US-7625891-B2 Heterocylic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-12-01 US claimed
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US claimed
WO-2009135788-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-12 WO claimed
US-20090281133-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-11-12 US claimed
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 claimed
US-20090028818-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-01-29 US claimed
WO-2009013171-A2 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO claimed
WO-2008119663-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO claimed
US-20080249087-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-10-09 US claimed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 US claimed
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 claimed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8106194-B2 Pyrrolopyrimidine and pyrrolotriazine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20110137031-A1 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
WO-1997038995-A1 FUNGICIDAL OXAZOLIDINEDIONE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 WO disclosed
US-5424310-A Substituted 1,2,4-triazine-3,5-dione derivative and anticoccidial drug composition containing the same as active component SUNTORY LIMITED (JP) 1995-06-13 US disclosed
EP-0576251-A1 Substituted 1,2,4-triazine-3,5-dione derivatives and drug compositions containing them, particularly for coccidiosis treatment SUNTORY LIMITED (JP) 1993-12-29 EP 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 (5 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-20090281133-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 HTT 3308/4885KDM4E 3124/4885ALDH1A1 605/4885
US-20080103125-A1 Heterocylic antiviral compounds CCR5, ACKR3, CXCR3 HTT 2169/4885KDM4E 4084/4885ALDH1A1 1201/4885
US-20110137031-A1 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES HRH2, CRHR1, HRH4 HTT 128/4885KDM4E 1231/4885ALDH1A1 3682/4885
US-20090028818-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 HTT 3360/4885KDM4E 2769/4885ALDH1A1 622/4885
US-20080249087-A1 Heterocylic antiviral compounds CCR5, CCR1, CXCR1 HTT 2004/4885KDM4E 2675/4885ALDH1A1 339/4885

“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.