SCHEMBL5996258

SCHEMBL5996258

COc1ccccc1OC(C1CNCCN1)[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.45
SLC6A4 P31645 11/20 0.45
SLC6A3 Q01959 8/20 0.45
ADRA2C P18825 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH1 P35367 1/20 0.35
HTR2C P28335 2/20 0.35
CYP2D6 P10635 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
SCHEMBL5995989 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HRH1CYP2D6
SCHEMBL7280300 0.82 ADRA2A (0.35) SLC6A2SLC6A4SLC6A3ADRA2CADRA2A
SCHEMBL5995472 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HRH1HTR2C
SCHEMBL5993827 0.77 TDP1 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6455895 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ADRA2CKMT2A
SCHEMBL25355557 0.68 HTR2C (0.54) SLC6A2SLC6A4SLC6A3ADRA2CKMT2A
SCHEMBL28776903 0.68 HTR2C (0.54) SLC6A2SLC6A4SLC6A3ADRA2CKMT2A
SCHEMBL1638122 0.68 HTR2C (0.54) SLC6A2SLC6A4SLC6A3ADRA2CKMT2A
SCHEMBL6256715 0.67 KMT2A (0.53) ADRA2CADRA2AADRA2BKMT2AMTNR1A
SCHEMBL6193610 0.67 LMNA (0.52) SLC6A2SLC6A4SLC6A3ADRA2CKMT2A

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-7026321-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-04-11 US disclosed
US-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction CV THERAPEUTICS, INC. 2004-09-23 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 (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-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction KCNJ2, PPARA, PPARD SLC6A2 4763/4885SLC6A4 4357/4885SLC6A3 4596/4885

“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.