SCHEMBL5885901

SCHEMBL5885901

C[C@H](Cc1ccc(O)c(S(N)(=O)=O)c1)N[C@H](C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
ADRA1D P25100 6/20 0.42
ADRA1A P35348 6/20 0.42
ADRA1B P35368 6/20 0.42
ADRB1 P08588 2/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 2/20 0.41
PTGES2 Q9H7Z7 2/20 0.39
ERCC1 P07992 1/20 0.39

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
SCHEMBL5885894 1.00 SIGMAR1 (0.55) SIGMAR1ADRA1DADRA1AADRA1BADRB1
SCHEMBL5885695 0.84 ADRA1D (0.59) SIGMAR1ADRA1DADRA1AADRA1BADRB1
SCHEMBL13984210 0.84 ADRA1D (0.59) SIGMAR1ADRA1DADRA1AADRA1BADRB1
SCHEMBL30063021 0.84 ADRA1D (0.59) SIGMAR1ADRA1DADRA1AADRA1BADRB1
SCHEMBL5885698 0.84 ADRA1D (0.59) SIGMAR1ADRA1DADRA1AADRA1BADRB1
SCHEMBL28441227 0.84 ADRA1D (0.59) SIGMAR1ADRA1DADRA1AADRA1BADRB1
SCHEMBL28441225 0.84 ADRA1D (0.59) SIGMAR1ADRA1DADRA1AADRA1BADRB1
Hydrochloric Acid SCHEMBL28440129 0.83 ADRA1D (0.58) SIGMAR1ADRA1DADRA1AADRA1BADRB1
Hydrochloric Acid SCHEMBL9416386 0.83 ADRA1D (0.58) SIGMAR1ADRA1DADRA1AADRA1BADRB1
SCHEMBL6135589 0.79 SIGMAR1 (0.57) SIGMAR1ADRA1DADRA1AADRA1BADRB1

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-7084301-B2 Tamsulosin derivative RANBAXY LABORATORIES LIMITED (IN) 2006-08-01 US disclosed
US-20050154231-A1 Tamsulosin derivative RANBAXY LABORATORIES LIMITED (IN) 2005-07-14 US disclosed
US-6894188-B1 Tamsulosin derivative RANBAXY LABORATORY LIMITED (IN) 2005-05-17 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-20050154231-A1 Tamsulosin derivative ADRB1, ADRA1B, ADRA2B SIGMAR1 532/4885ADRA1D 5/4885ADRA1A 7/4885

“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.