SCHEMBL5995989

SCHEMBL5995989

C[C@@H](O)C(Oc1ccccc1F)C1CNCCN1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.44
SLC6A3 Q01959 9/20 0.44
SLC6A4 P31645 7/20 0.44
HTR1A P08908 7/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH1 P35367 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL5995472 0.88 SLC6A2 (0.34) SLC6A2SLC6A3SLC6A4HTR1ALMNA
SCHEMBL5996258 0.86 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4CYP2D6HRH1
SCHEMBL7280300 0.81 ADRA2A (0.35) SLC6A2SLC6A3SLC6A4LMNACYP2D6
SCHEMBL5993827 0.81 TDP1 (0.32) SLC6A2SLC6A3SLC6A4CYP1A2CYP2D6
SCHEMBL934920 0.72 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4HTR1ACYP2D6
SCHEMBL934190 0.72 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4HTR1ACYP2D6
SCHEMBL934191 0.72 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4HTR1ACYP2D6
SCHEMBL27870128 0.71 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HTR1AALDH1A1
SCHEMBL6701385 0.68 SLC6A3 (0.42) SLC6A2SLC6A3SLC6A4ALDH1A1LMNA
SCHEMBL6455895 0.67 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR1ALMNA

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 4763/4885SLC6A3 4596/4885SLC6A4 4357/4885

“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.