SCHEMBL3840800

SCHEMBL3840800

CCSc1ccccc1CCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.50
HTR2A P28223 4/20 0.42
HRH1 P35367 1/20 0.39
HMGB1 P09429 1/20 0.37
CYP2A6 P11509 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MPO P05164 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL3842830 0.83 SLC6A2 (0.46) TAAR1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL28252319 0.83 HPGD (0.36) KMT2A
Hydrochloric Acid SCHEMBL7362813 0.82 AOC3 (0.46) TAAR1AOC3
SCHEMBL7323844 0.80 HPGD (0.34) MEN1KMT2A
SCHEMBL1570054 0.79 TAAR1 (0.54) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL2153441 0.79 TAAR1 (0.54) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
SCHEMBL10408277 0.79 TAAR1 (0.54) TAAR1HTR2AHRH1HMGB1CYP2A6
SCHEMBL14507031 0.79 GABRA1 (0.41)
Hydrochloric Acid SCHEMBL11154524 0.78 TAAR1 (0.52) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2
Hydrochloric Acid SCHEMBL14893290 0.78 TAAR1 (0.52) TAAR1HTR2AHRH1CYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-7420053-B2 2-imino-1,3-thiazine derivatives SHIONOGI & CO., LTD. (JP) 2008-09-02 US disclosed
EP-1375489-B1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO (JP) 2008-08-20 EP disclosed
EP-1219612-B1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO (JP) 2008-04-23 EP disclosed
US-20070088020-A1 2-imino-1,3-thiazine derivatives HANASAKI KOJI 2007-04-19 US disclosed
US-7183275-B2 2-imino-1,3-thiazine derivatives SHIONOGI CO., LTD. (JP) 2007-02-27 US disclosed
US-6916806-B2 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2005-07-12 US disclosed
US-20050124617-A1 2-Imino-1,3-thiazine derivatives HANASAKI KOJI (JP) 2005-06-09 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 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 (4 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 TAAR1 173/4885HTR2A 206/4885HRH1 8/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 TAAR1 203/4885HTR2A 228/4885HRH1 8/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TAAR1 99/4885HTR2A 8/4885HRH1 208/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TAAR1 99/4885HTR2A 8/4885HRH1 208/4885

“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.