SCHEMBL3198651

SCHEMBL3198651

Cc1cc(-c2ccc(C(=O)O)c(C(C)C)c2)cc(C)c1OCC(C)N[C@@H](C)[C@H](O)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.50
ADRA1A P35348 3/20 0.50
CYP1A2 P05177 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
CYP2D6 P10635 2/20 0.50
SLC6A2 P23975 2/20 0.50
CYP2C19 P33261 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
MEN1 O00255 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A4 P31645 1/20 0.50
KMT2A Q03164 1/20 0.50
CDK1 P06493 1/20 0.50
MAPK1 P28482 2/20 0.49
ADRB3 P13945 12/20 0.46
ADRB1 P08588 9/20 0.46

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
SCHEMBL3198658 1.00 HIF1A (0.50) HIF1AADRA1ACYP1A2HTR1AADRA2A
SCHEMBL3198748 0.92 HIF1A (0.47) HIF1AADRA1ACYP1A2HTR1AADRA2A
SCHEMBL3198759 0.92 HIF1A (0.47) HIF1AADRA1ACYP1A2HTR1AADRA2A
SCHEMBL4671597 0.87 ADRB3 (0.52) HIF1AADRA1ACYP2D6SLC6A2OPRM1
SCHEMBL3024231 0.87 ADRB3 (0.52) HIF1AADRA1ACYP2D6SLC6A2OPRM1
SCHEMBL3027904 0.87 ADRB3 (0.52) HIF1AADRA1ACYP2D6SLC6A2OPRM1
Hydrochloric Acid SCHEMBL3201711 0.86 ADRB3 (0.51) HIF1ASLC6A2OPRM1SLC6A4ADRB3
Hydrochloric Acid SCHEMBL3201725 0.86 ADRB3 (0.51) HIF1ASLC6A2OPRM1SLC6A4ADRB3
SCHEMBL3201275 0.79 ADRB3 (0.45) HIF1AADRA1ACYP2D6SLC6A2OPRM1
SCHEMBL13941320 0.79 ADRB3 (0.45) HIF1AADRA1ACYP2D6SLC6A2OPRM1

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
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 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 (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-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A HIF1A 3263/4885ADRA1A 3/4885CYP1A2 83/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A HIF1A 3263/4885ADRA1A 3/4885CYP1A2 83/4885

“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.