SCHEMBL216837

SCHEMBL216837

CCC(Br)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
TSHR P16473 3/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C9 P11712 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 3/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 2/20 0.31
HSD11B1 P28845 1/20 0.31
OPRL1 P41146 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CYP2D6 P10635 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
SCHEMBL11719990 0.85 TSHR (0.44) TSHRALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL254417 0.79 HTT (0.41) HTTTSHRIDO1TDO2ALDH1A1
SCHEMBL1134284 0.77 HTT (0.40) HTTIDO1TDO2ALDH1A1CYP2C19
SCHEMBL3708329 0.77 TSHR (0.59) HTTTSHRIDO1TDO2ALDH1A1
SCHEMBL4441634 0.77 HTT (0.43) HTTTSHRIDO1TDO2ALDH1A1
SCHEMBL29573338 0.77 TSHR (0.59) HTTTSHRIDO1TDO2ALDH1A1
SCHEMBL7236152 0.77 ESR1 (0.46) HTTTSHRALDH1A1CYP2C19CYP3A4
SCHEMBL10455676 0.77 TSHR (0.39) TSHRALDH1A1CYP2C19CYP2C9LMNA
SCHEMBL6643908 0.76 NISCH (0.44) TSHRIDO1TDO2CYP2C19CYP3A4
SCHEMBL6258732 0.76 MC4R (0.41) TSHRIDO1TDO2ALDH1A1CYP3A4

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 7 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

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 HTT 4572/4885TSHR 185/4885IDO1 1111/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R HTT 4670/4885TSHR 194/4885IDO1 585/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R HTT 4689/4885TSHR 502/4885IDO1 337/4885

“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.