SCHEMBL939641

SCHEMBL939641

Fc1cncc(CN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
HRH3 Q9Y5N1 2/20 0.47
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.44
NCF1 P14598 1/20 0.44
TLR7 Q9NYK1 5/20 0.43
PRMT6 Q96LA8 1/20 0.43
LTA4H P09960 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP2A13 Q16696 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL29934322 0.80 HRH3 (0.47) HRH3NCF1PRMT6CYP11B2CYP2A13
SCHEMBL20412699 0.80 DRD2 (0.49) DRD2DRD4DRD3CYP17A1CYP3A4
SCHEMBL13466368 0.80 NCF1 (0.47) HRH3NCF1PRMT6CYP11B2MAPT
SCHEMBL18427235 0.80 HRH3 (0.47) DRD2DRD4DRD3HRH3NCF1
SCHEMBL18713007 0.80 DRD2 (0.49) DRD2DRD4DRD3CYP17A1CYP3A4
SCHEMBL18390555 0.80 DRD2 (0.49) DRD2DRD4DRD3CYP17A1CYP3A4
SCHEMBL465728 0.80 NCF1 (0.47) HRH3NCF1PRMT6CYP11B2MAPT
SCHEMBL14514820 0.80 MAPT (0.49) HRH3CYP3A4NCF1PRMT6CYP11B2
SCHEMBL12241726 0.80 CYP11B2 (0.53) HRH3NCF1PRMT6CYP11B2CYP2A13
SCHEMBL4757486 0.80 SIGMAR1 (0.47) DRD2DRD4DRD3HRH3CYP17A1

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
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2475657-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-07-18 EP disclosed
CN-102471327-A Inhibitors of flaviviridae viruses GILEAD SCIENCES INC 2012-05-23 CN disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 DRD2 4845/4885DRD4 4600/4885DRD3 4725/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 DRD2 4845/4885DRD4 4600/4885DRD3 4725/4885

“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.