SCHEMBL5076478

SCHEMBL5076478

C[C@H](NCCc1ccccc1)[C@H](O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.69
ADRB1 P08588 4/20 0.69
CYP2D6 P10635 4/20 0.69
ADRA1A P35348 4/20 0.69
ADRB2 P07550 3/20 0.69
HIF1A Q16665 3/20 0.69
SLC6A2 P23975 3/20 0.69
OPRM1 P35372 3/20 0.69
SLC6A4 P31645 2/20 0.69
OPRK1 P41145 2/20 0.69
SLC6A3 Q01959 2/20 0.69
GALR3 O60755 1/20 0.69
ADRB3 P13945 3/20 0.67
SIGMAR1 Q99720 3/20 0.67
TMEM97 Q5BJF2 1/20 0.67
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2C19 P33261 3/20 0.56

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
Hydrochloric Acid SCHEMBL9138402 0.98 LMNA (0.69) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL7381182 0.90 SIGMAR1 (0.57) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL3580764 0.89 ADRB1 (0.64) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL3580767 0.89 ADRB1 (0.64) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL3580761 0.89 ADRB1 (0.64) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL3581425 0.85 ADRB3 (0.62) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL3581431 0.85 ADRB3 (0.62) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL3581428 0.85 ADRB3 (0.62) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL5076518 0.84 HIF1A (0.62) LMNAADRB1CYP2D6ADRA1AADRB2
SCHEMBL5079112 0.84 HIF1A (0.62) LMNAADRB1CYP2D6ADRA1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408084-B2 Process for producing optically active β-amino alcohol KANEKA CORPORATION (JP) 2008-08-05 US disclosed
US-20050277791-A1 Process for producing optically active beta-amino alcohol KANEKA CORPORATION (JP) 2005-12-15 US disclosed
EP-1512677-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE s-AMINO ALCOHOL KANEKA CORPORATION (JP) 2005-03-09 EP 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-20050277791-A1 Process for producing optically active beta-amino alcohol ADH1A, ALDH7A1, ADH1C LMNA 1549/4885ADRB1 40/4885CYP2D6 1122/4885

“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.