SCHEMBL1022249

SCHEMBL1022249

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(N)cn1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.53
SLC6A2 P23975 4/20 0.53
OPRK1 P41145 3/20 0.44
KCNH2 Q12809 2/20 0.43
CHRM1 P11229 5/20 0.40
DRD3 P35462 4/20 0.40
CHRM2 P08172 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
SLC6A4 P31645 2/20 0.40
HRH1 P35367 2/20 0.40
ADRA2A P08913 2/20 0.40
DRD2 P14416 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
HRH2 P25021 2/20 0.40
ADRA1D P25100 2/20 0.40
HTR2A P28223 2/20 0.40
HTR6 P50406 2/20 0.40

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
SCHEMBL1022248 1.00 SLC6A3 (0.53) SLC6A3SLC6A2OPRK1KCNH2CHRM1
SCHEMBL12222719 0.84 SLC6A3 (0.50) SLC6A3SLC6A2OPRK1KCNH2CHRM1
SCHEMBL7323461 0.84 SLC6A3 (0.50) SLC6A3SLC6A2OPRK1KCNH2CHRM1
SCHEMBL746296 0.82 SLC6A2 (0.49) SLC6A3SLC6A2OPRK1KCNH2CHRM1
SCHEMBL989621 0.82 SLC6A2 (0.49) SLC6A3SLC6A2OPRK1KCNH2CHRM1
SCHEMBL746295 0.82 SLC6A2 (0.49) SLC6A3SLC6A2OPRK1KCNH2CHRM1
SCHEMBL1177892 0.82 SLC6A3 (0.51) SLC6A3SLC6A2OPRK1KCNH2CHRM1
SCHEMBL1177891 0.82 SLC6A3 (0.51) SLC6A3SLC6A2OPRK1KCNH2CHRM1
SCHEMBL12386003 0.79 LIPE (0.49) SLC6A3SLC6A2
SCHEMBL1177494 0.79 LIPE (0.49) SLC6A3SLC6A2

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-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 SLC6A3 1371/4885SLC6A2 257/4885OPRK1 206/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 SLC6A3 262/4885SLC6A2 82/4885OPRK1 58/4885

“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.