SCHEMBL216595

SCHEMBL216595

CCCCOC(C)(OCCCC)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL4975739 0.78 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL10516 0.73
SCHEMBL10762136 0.73 TSHR (0.44) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL9648981 0.73 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL1650987 0.73
SCHEMBL2138838 0.73 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL31106617 0.71 DNM1 (0.37) TSHRCA1CA2
Methane SCHEMBL7217295 0.70 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL29287853 0.70 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL11767470 0.70 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 EP disclosed
US-5213608-A Sulfonylguanidines BAYER AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5167692-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-12-01 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 (3 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R ADRB2 35/4885ADRB1 101/4885ADRB3 80/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R ADRB2 26/4885ADRB1 74/4885ADRB3 78/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R ADRB2 112/4885ADRB1 110/4885ADRB3 196/4885

“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.