SCHEMBL2268109

SCHEMBL2268109

CN1CC(Cc2ccc(C(F)(F)F)cc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.37
NR1I2 O75469 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 2/20 0.37
PDE3A Q14432 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ROCK2 O75116 1/20 0.35
GAA P10253 1/20 0.35
TSPO P30536 1/20 0.35
BRD4 O60885 2/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL2957566 0.88 OPRK1 (0.39) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2263552 0.88 OPRK1 (0.39) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2266795 0.87 OPRK1 (0.39) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2264547 0.87 OPRK1 (0.38) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2266008 0.84 OPRK1 (0.42) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2266190 0.83 OPRK1 (0.40) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2962352 0.82 OPRK1 (0.40) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2267890 0.82 TP53 (0.44) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2268118 0.81 OPRK1 (0.39) OPRK1NR1I2ADORA3HTR2CADRA1A
SCHEMBL2263970 0.80 OPRK1 (0.49) OPRK1PDE4DLMNAPDE3AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-11 US disclosed
US-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 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-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 OPRK1 313/4885NR1I2 1849/4885ADORA3 693/4885
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 OPRK1 313/4885NR1I2 1849/4885ADORA3 693/4885

“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.