SCHEMBL1865064

SCHEMBL1865064

COC(C)CC(=O)NCc1ccc(Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 4/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 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
SCHEMBL1989624 0.81 EPHX2 (0.46) HPGDHTTP2RX7
SCHEMBL4269892 0.79 TSHR (0.54) ROCK2ROCK1NPC1TSHRHPGD
SCHEMBL1865359 0.79 TSHR (0.49) ROCK2ROCK1NPC1TSHRHPGD
SCHEMBL1869075 0.79 HPGD (0.52) ROCK2ROCK1NPC1TSHRHPGD
SCHEMBL1873656 0.77 HTT (0.54) ROCK2ROCK1TSHRHPGDHTT
SCHEMBL1991831 0.76 SETDB1 (0.52) ROCK2ROCK1NPC1TSHRHPGD
SCHEMBL1866652 0.76 ALDH1A1 (0.52) ROCK2ROCK1NPC1TSHRHPGD
SCHEMBL1866044 0.75 LMNA (0.42) ROCK2ROCK1TSHRLMNATP53
SCHEMBL16899272 0.74 HTT (0.48) ROCK2ROCK1NPC1TSHRHTT
SCHEMBL5177742 0.74 PYCR1 (0.42) OPRM1TSHRHPGDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152332-A1 Pesticidal Heterocyclic Compounds BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011051455-A1 PESTICIDAL HETEROCYCLIC COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-05-05 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-20110152332-A1 Pesticidal Heterocyclic Compounds DDT, PTMS, CYP4X1 OPRM1 2177/4885ROCK2 924/4885ROCK1 503/4885

“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.