SCHEMBL413322

SCHEMBL413322

CN[C@@H](C)c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.59
POLB P06746 1/20 0.52
CYP2D6 P10635 2/20 0.51
AOC3 Q16853 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
PRKG1 Q13976 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL10305652 1.00 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL8285877 1.00 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL410129 1.00 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL19286306 0.85 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL7862921 0.85 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL12870263 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL14438388 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL7903255 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL28508849 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL13740795 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-8420846-B2 Process for producing (S)-3-[(1-dimethylamino)ethyl] phenyl-N-ethyl-N-methyl-carbamate via novel intermediates JUBILANT LIFE SCIENCES LIMITED (IN) 2013-04-16 US disclosed
EP-2349976-B1 A PROCESS FOR PRODUCING (S)-3-[(1-DIMETHYLAMINO)ETHYL]PHENYL-N-ETHYL-N-METHYL-CARBAMATE VIA NOVEL INTERMEDIATES JUBILANT LIFE SCIENCES LTD (IN) 2012-12-26 EP disclosed
EP-1939172-B1 METHOD OF OBTAINING PHENYL CARBAMATES INTERQUIM SA (ES) 2012-07-11 EP disclosed
EP-1939172-B1 METHOD OF OBTAINING PHENYL CARBAMATES INTERQUIM SA (ES) 2012-07-11 EP disclosed
US-20120022281-A1 PROCESS FOR PRODUCING (S)-3-[(1-DIMETHYLAMINO)ETHYL] PHENYL-N-ETHYL-N-METHYL-CARBAMATE VIA NOVEL INTERMEDIATES JUBILANT LIFE SCIENCES LIMITED (IN) 2012-01-26 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
EP-1939172-A2 METHOD OF OBTAINING PHENYL CARBAMATES Interquim, S.A. (ES) 2008-07-02 EP disclosed
EP-1939172-A2 METHOD OF OBTAINING PHENYL CARBAMATES Interquim, S.A. (ES) 2008-07-02 EP disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
WO-2007014973-A2 METHOD OF OBTAINING PHENYL CARBAMATES INTERQUIM, S.A. (ES) 2007-02-08 WO 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 CASR 1039/4885POLB 3485/4885CYP2D6 3285/4885
US-20120022281-A1 PROCESS FOR PRODUCING (S)-3-[(1-DIMETHYLAMINO)ETHYL] PHENYL-N-ETHYL-N-METHYL-CARBAMATE VIA NOVEL INTERMEDIATES ACHE, NNMT, BCHE CASR 3204/4885POLB 3561/4885CYP2D6 423/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CASR 3686/4885POLB 1938/4885CYP2D6 3376/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CASR 381/4885POLB 4086/4885CYP2D6 415/4885

“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.