SCHEMBL14299488

SCHEMBL14299488

O=C1c2cc(Br)ccc2NC2CCCC12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
TGM2 P21980 1/20 0.40
CES1 P23141 1/20 0.40
PARP1 P09874 2/20 0.39
LRRK2 Q5S007 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
GSK3B P49841 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
S100A4 P26447 1/20 0.35
NOS3 P29474 1/20 0.35

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
SCHEMBL14249968 0.81 LMNA (0.58) LMNATSHRPARP1LRRK2MAPT
SCHEMBL14299501 0.81 LMNA (0.58) LMNATSHRPARP1LRRK2MAPT
SCHEMBL15711880 0.81 LMNA (0.58) LMNATSHRPARP1LRRK2MAPT
SCHEMBL14317116 0.81 LMNA (0.58) LMNATSHRPARP1LRRK2MAPT
SCHEMBL14317122 0.81 LMNA (0.58) LMNATSHRPARP1LRRK2MAPT
SCHEMBL14314716 0.78 LMNA (0.54) LMNATSHRPARP1LRRK2MAPT
SCHEMBL14317142 0.77 TSHR (0.93) LMNATSHRPARP1LRRK2KMT2A
SCHEMBL14316428 0.77 TSHR (0.93) LMNATSHRPARP1LRRK2KMT2A
SCHEMBL31693975 0.76 LMNA (0.42) LMNATSHRPARP1KMT2AMEN1
SCHEMBL31330386 0.74 PARP1 (0.59) LMNATSHRTGM2CES1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2720545-B1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2016-11-30 EP disclosed
US-20140128367-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2014-05-08 US disclosed
US-20140128367-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2014-05-08 US disclosed
US-20120329743-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
US-20120329743-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
WO-2012174176-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-12-20 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 (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-20120329743-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS NR1H2, HRH2, HRH1 LMNA 3777/4885TSHR 97/4885TGM2 3182/4885
US-20140128367-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS NR1H2, HRH2, HRH1 LMNA 3859/4885TSHR 94/4885TGM2 3207/4885

“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.