SCHEMBL4409508

SCHEMBL4409508

CC(C)c1cc(N)ccc1CCN

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ANPEP P15144 1/20 0.35
ADRA1A P35348 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5847934 0.92 GAA (0.39) GAAMAPTTSHRMAPK1HTT
SCHEMBL21706818 0.86 GAA (0.36) GAAMAPTTSHRMAPK1HTT
SCHEMBL3842911 0.86 GAA (0.38) GAAMAPTTSHRMAPK1HTT
SCHEMBL6426022 0.83 GAA (0.48) GAAMAPTTSHRMAPK1HTT
SCHEMBL27482062 0.83 TYR (0.41) GAAMAPTTSHRMAPK1HTT
SCHEMBL3844314 0.82 TAAR1 (0.55) HTR1DTAAR1ADRA1A
SCHEMBL18533063 0.82 ANPEP (0.39) GAAMAPTTSHRMAPK1HTT
SCHEMBL3841013 0.81 TYR (0.47) HTR1DTAAR1MAPTTSHRMAPK1
SCHEMBL3842146 0.81 HTR2A (0.44) HTR1DTAAR1HTT
SCHEMBL2100738 0.81 HTR2A (0.44) HTR1DTAAR1

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
US-20160222054-A1 PH SWITCHABLE REAGENTS AND METHODS FOR THEIR USE IMPOSSIBLE FOODS INC (US) 2016-08-04 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 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 (5 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 HTR1D 170/4885TAAR1 173/4885GAA 4063/4885
US-20160222054-A1 PH SWITCHABLE REAGENTS AND METHODS FOR THEIR USE PHPT1, CA6, HMBS HTR1D 3755/4885TAAR1 2926/4885GAA 68/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 HTR1D 199/4885TAAR1 203/4885GAA 3645/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C HTR1D 7/4885TAAR1 99/4885GAA 4768/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C HTR1D 7/4885TAAR1 99/4885GAA 4768/4885

“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.