SCHEMBL3843327

SCHEMBL3843327

CC(C)c1cc(O)ccc1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 4/20 0.42
ABAT P80404 1/20 0.37
ENPP2 Q13822 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
CYP1A2 P05177 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
FAAH O00519 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 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
SCHEMBL3841013 0.85 TYR (0.47) TYRHTR2CHTR2BCYP1A2HTR1A
SCHEMBL3844310 0.84 HTR2B (0.39) TYRABATENPP2HTR2CHTR2B
SCHEMBL19658048 0.82 TYR (0.43) TYRHTR2CHTR2BCYP1A2CA1
SCHEMBL6401475 0.82 TYR (0.43) TYRHTR2CHTR2BCYP1A2CYP2D6
SCHEMBL11700185 0.80 GABRA1 (0.45) TYRHTR2CHTR2BCYP1A2HTR1A
SCHEMBL11402639 0.80 TYR (0.50) TYRHTR2CHTR2BCYP1A2CA1
SCHEMBL10587687 0.78 TYR (0.49) TYRCYP3A4TSHR
SCHEMBL3846424 0.78 SLC6A2 (0.45) HTR2BCYP1A2LMNASLC6A2TAAR1
SCHEMBL3842911 0.78 GAA (0.38) CYP3A4TSHR
SCHEMBL6415947 0.77 TYR (0.71) TYRCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227390-B2 Binder resin for friction material, binder resin composition for friction material, composite material for friction material containing the same, friction material and production method thereof AKEBONO BRAKE INDUSTRY CO., LTD. (JP) 2012-07-24 US disclosed
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-20090137434-A1 BINDER RESIN FOR FRICTION MATERIAL, BINDER RESIN COMPOSITION FOR FRICTION MATERIAL, COMPOSITE MATERIAL FOR FRICTION MATERIAL CONTAINING THE SAME, FRICTION MATERIAL AND PRODUCTION METHOD THEREOF AKEBONO BRAKE INDUSTRY CO., LTD (JP) 2009-05-28 US 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
CN-1301981-C Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO (JP) 2007-02-28 CN disclosed
US-7183275-B2 2-imino-1,3-thiazine derivatives SHIONOGI CO., LTD. (JP) 2007-02-27 US disclosed
CN-1247553-C 2-imino-1,3-thiazine derivs. SHIONOGI & CO (JP) 2006-03-29 CN 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 TYR 2295/4885ABAT 3255/4885ENPP2 187/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 TYR 1952/4885ABAT 2278/4885ENPP2 176/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TYR 2769/4885ABAT 2288/4885ENPP2 1668/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TYR 2769/4885ABAT 2288/4885ENPP2 1668/4885

“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.