SCHEMBL995619

SCHEMBL995619

Cc1cccc(-c2ccc(C(F)(F)F)cc2N)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
MPL P40238 2/20 0.41
FEN1 P39748 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
SORT1 Q99523 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
PTGS2 P35354 1/20 0.39
HSD11B1 P28845 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL995546 0.79 CCR1 (0.52) CCR1CCR8ALDH1A1NOS3NOS2
SCHEMBL15935411 0.77 SORT1 (0.59) FEN1ALDH1A1SORT1
SCHEMBL996983 0.75 CBFB (0.49) MPLFEN1ALDH1A1PKMMAPT
SCHEMBL998811 0.75 MPL (0.57) MPLFEN1MAPTTSHRMAPK1
SCHEMBL2615262 0.74 CTSS (0.60) CCR1CCR8ALDH1A1LMNA
SCHEMBL6138448 0.74 ALDH1A1 (0.53) MPLFEN1ALDH1A1PKMMAPT
SCHEMBL997139 0.74 MPL (0.49) MPLFEN1ALDH1A1PKMMAPT
SCHEMBL2615265 0.74 CCR1 (0.54) CCR1CCR8HSD11B1TRPV3
SCHEMBL3723641 0.73 CCR1 (0.58) CCR1CCR8ALDH1A1MAPTL3MBTL1
SCHEMBL4936538 0.73 CCR1 (0.44) CCR1CCR8PKMMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 CCR1 137/4885CCR8 494/4885MPL 2369/4885

“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.