SCHEMBL17471518

SCHEMBL17471518

CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(S(=O)(=O)NC)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 9/20 0.80
ADRA1A P35348 9/20 0.80
ADRA1B P35368 9/20 0.80
ADRB2 P07550 3/20 0.80
ADRB1 P08588 1/20 0.80
HTR1A P08908 1/20 0.80
ADRA2A P08913 1/20 0.80
DRD2 P14416 1/20 0.80
ADRA2B P18089 1/20 0.80
ADRA2C P18825 1/20 0.80
HTR2A P28223 1/20 0.80
HTR7 P34969 1/20 0.80
OPRM1 P35372 1/20 0.80
DRD3 P35462 1/20 0.80
HTR2B P41595 1/20 0.80
KCNH2 Q12809 1/20 0.80
SIGMAR1 Q99720 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9416156 0.95 ADRA1D (0.71) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL9126749 0.94 ADRA1D (0.70) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL4911405 0.92 ADRA1D (0.80) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL10281471 0.91 ADRA1D (0.79) ADRA1DADRA1AADRA1BADRB2ADRB1
Water SCHEMBL6231086 0.90 ADRA1D (0.77) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL9548029 0.90 ADRA1D (0.83) ADRA1DADRA1AADRA1BADRB2ADRB1
Tamsulosin SCHEMBL34378 0.89 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRB2ADRB1
Tamsulosin SCHEMBL29566149 0.89 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRB2ADRB1
Tamsulosin SCHEMBL29599595 0.89 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRB2ADRB1
Tamsulosin SCHEMBL53998 0.89 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRB2ADRB1

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-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 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 (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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 ADRA1D 2207/4885ADRA1A 1129/4885ADRA1B 2484/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 ADRA1D 2207/4885ADRA1A 1129/4885ADRA1B 2484/4885

“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.