SCHEMBL1985188

SCHEMBL1985188

COC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
THRB P10828 1/20 0.61
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.59
SLC6A5 Q9Y345 8/20 0.59
SLC6A9 P48067 8/20 0.59
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
DPP4 P27487 1/20 0.54
WDR5 P61964 1/20 0.53

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
SCHEMBL29536266 0.88 ALDH1A1 (0.68) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL28702263 0.88 MAPT (0.70) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL994347 0.88 ALDH1A1 (0.68) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL6840537 0.86 ALDH1A1 (0.53) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL30957484 0.86 LMNA (0.69) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL3553731 0.86 LMNA (0.69) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL1498664 0.84 POLB (0.65) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL6495866 0.84 ALDH1A1 (0.63) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL31639893 0.84 ALDH1A1 (0.63) MAPTTHRBALDH1A1LMNAPOLB
SCHEMBL14464189 0.84 ALDH1A1 (0.79) MAPTTHRBALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 EP disclosed
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 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 (3 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885THRB 4622/4885ALDH1A1 2858/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPT 2833/4885THRB 4622/4885ALDH1A1 2858/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885THRB 4622/4885ALDH1A1 2858/4885

“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.