SCHEMBL16749902

SCHEMBL16749902

CC(Cc1cc(C#N)c2c(c1)CCN2CCCOCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 12/20 0.44
ADRA1A P35348 12/20 0.44
ADRA1B P35368 12/20 0.44
TEAD3 Q99594 2/20 0.38
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL12816498 1.00 ADRA1D (0.44) ADRA1DADRA1AADRA1BTEAD3ADRB2
SCHEMBL16749903 0.90 ADRA1D (0.41) ADRA1DADRA1AADRA1BTEAD3ADRB2
SCHEMBL12247877 0.88 ADRA1D (0.42) ADRA1DADRA1AADRA1BTEAD3ADRB2
SCHEMBL17502988 0.88 ADRA1D (0.42) ADRA1DADRA1AADRA1BTEAD3ADRB2
Mandelic Acid SCHEMBL15921346 0.87 ADRA1D (0.42) ADRA1DADRA1AADRA1BTEAD3ADRB2
SCHEMBL3342398 0.86 TEAD3 (0.39) ADRA1DADRA1AADRA1BTEAD3MEN1
SCHEMBL15921877 0.86 ADRA1D (0.40) ADRA1DADRA1AADRA1BTEAD3ADRB2
SCHEMBL18157055 0.83 ADRA1D (0.42) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL15934399 0.83 HRH3 (0.36) ADRA1DADRA1AADRA1BTEAD3MEN1
SCHEMBL16749915 0.83 ACHE (0.42) ADRA1DADRA1AADRA1BTEAD3MEN1

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-9394251-B2 Silodosin intermediate and preparation method therefor ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2016-07-19 US disclosed
US-20150148548-A1 Silodosin Intermediate and Preparation Method Therefor ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. 2015-05-28 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 (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-20150148548-A1 Silodosin Intermediate and Preparation Method Therefor CYP51A1, VIP, CYP4F11 ADRA1D 196/4885ADRA1A 436/4885ADRA1B 507/4885

“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.