SCHEMBL3603396

SCHEMBL3603396

CCCCCC1CNCCN1[C]=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GNAO1 P09471 10/20 0.33
GNAI3 P08754 9/20 0.33
GNAI1 P63096 9/20 0.33
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL3601268 0.98 TAAR1 (0.36) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3601527 0.95 TAAR1 (0.40) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2415899 0.88 CYP2D6 (0.36) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2701783 0.83 CYP2D6 (0.33) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4297604 0.81 CYP2D6 (0.34) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2328184 0.81 KCNH2 (0.31)
SCHEMBL2325661 0.78 CA1 (0.40)
SCHEMBL4290513 0.77 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6284637 0.76 TAAR1 (0.43) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4933742 0.75 TAAR1 (0.39) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450352-B2 Thiazole compounds and their use for inhibiting phosphodiesterase 4, TNF-α, and IL-4 OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-28 US disclosed
US-20100094002-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. 2010-04-15 US disclosed
US-7655680-B2 (E)-3-[2-(3,4-diethoxyphenyl)thiazole-4-yl]-1-(2-methoxyphenyl)propenone; inhibiting the activity of phosphodiesterase 4, the production of tumor necrosis factor alpha, and the production of interleukin 4; atopic dermatitis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20080039511-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
EP-1748044-A1 THIAZOLE COMPOUND AND USE THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2007-01-31 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-20100094002-A1 Thiazole Compound and Use Thereof PDE3B, IL4, PDE4A TAAR1 1152/4885CYP2D6 331/4885SLC6A2 3308/4885
US-20080039511-A1 Thiazole Compound and Use Thereof PDE3B, PDE3A, PDE4A TAAR1 779/4885CYP2D6 211/4885SLC6A2 1114/4885

“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.