SCHEMBL3841013

SCHEMBL3841013

CC(C)c1cc(O)ccc1CCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 4/20 0.47
TAAR1 Q96RJ0 4/20 0.44
HTR2C P28335 3/20 0.44
HTR1A P08908 3/20 0.44
HTR3A P46098 3/20 0.44
RECQL P46063 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
DRD1 P21728 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
HTR1D P28221 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
TSHR P16473 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL3844187 0.85 TAAR1 (0.44) TYRTAAR1HTR2CHTR1AHTR3A
SCHEMBL3843327 0.85 TYR (0.42) TYRTAAR1HTR2CHTR1AHTR2A
SCHEMBL11402639 0.85 TYR (0.50) TYRHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL10587687 0.83 TYR (0.49) TYRRECQLCYP3A4TSHRMAPT
SCHEMBL6415947 0.81 TYR (0.71) TYRCYP3A4TSHRMAPTADRA2A
SCHEMBL4409508 0.81 HTR1D (0.39) TAAR1HTR1DTSHRMAPTALDH1A1
SCHEMBL28237575 0.80 TYR (0.62) TYRHTR2CCYP3A4TSHRMAPT
SCHEMBL3844314 0.79 TAAR1 (0.55) TAAR1HTR2AHTR2BCYP1A2HTR1D
SCHEMBL9849365 0.79 TYR (0.62) TYRHTR2CCYP3A4TSHRMAPT
SCHEMBL19658048 0.79 TYR (0.43) TYRHTR2CHTR2BCYP1A2CYP3A4

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 22 patents — showing the first 20. 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-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
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 CN 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
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN 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 2295/4885TAAR1 173/4885HTR2C 179/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 TYR 1952/4885TAAR1 203/4885HTR2C 229/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TYR 2769/4885TAAR1 99/4885HTR2C 3/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TYR 2769/4885TAAR1 99/4885HTR2C 3/4885

“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.