SCHEMBL3134566

SCHEMBL3134566

COc1cc(C(C)(C)N)c(OC)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.43
HTR2C P28335 6/20 0.43
HTR2B P41595 4/20 0.43
HTR1A P08908 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 4/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL8172320 0.83 CYP3A4 (0.59) HTR2AHTR2CHTR2BHTR1ACYP3A4
SCHEMBL5297130 0.83 CYP3A4 (0.47) HTR2AHTR2CCYP3A4TSHRLMNA
SCHEMBL3256565 0.80 HTR2A (0.46) HTR2AHTR2CHTR2BCYP3A4LMNA
SCHEMBL27167272 0.78 HTR2A (0.51) HTR2AHTR2CHTR2BHTR1ACYP3A4
SCHEMBL481337 0.78 HTR2A (0.54) HTR2AHTR2CHTR2BHTR1ACYP3A4
SCHEMBL16579351 0.73 HTR2A (0.41) HTR2AHTR2CHTR2BCYP3A4LMNA
SCHEMBL28211962 0.73 HTR2A (0.50) HTR2AHTR2CHTR2BHTR1ACYP3A4
SCHEMBL2761860 0.72 KDM4E (0.46) HTR2AHTR2CHTR2BCYP3A4TSHR
SCHEMBL5296484 0.72 CYP3A4 (0.38) HTR2AHTR2CCYP3A4CYP1A2TSHR
SCHEMBL5296647 0.72 KDM4E (0.46) HTR2AHTR2CHTR2BCYP3A4TSHR

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO claimed
CN-104860951-A Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH and Co KG 2015-08-26 CN disclosed
CN-103002735-B Modulators of 5-ht receptors and methods of use thereof ABBVI CO 2015-05-20 CN disclosed
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
CN-103002735-A Modulators of 5-ht receptors and methods of use thereof ABBVI CO 2013-03-27 CN disclosed
CN-102958932-A 5-HT receptor modulators and methods of use thereof ABBVI INC 2013-03-06 CN disclosed
CN-102482292-A Modulators of 5-ht receptors and methods of use thereof ABBOTT GMBH & CO KG 2012-05-30 CN disclosed
CN-1955179-B [1,4]diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents WYETH CORP 2010-07-14 CN disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
EP-1497293-A1 (1,4)DIAZEPINO(6,7,1-IJ)QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS Wyeth (US) 2005-01-19 EP disclosed
EP-1497296-A1 1,4 DIAZOCINO 7,8,1-hi INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS Wyeth (US) 2005-01-19 EP disclosed
EP-1497294-A1 1,2,3,4,7,8-HEXAHYDRO-6 i H /i - 1,4 DIAZEPINO 6,7 ,1- i 1J /i QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTI OBESITY AGENTS Wyeth (US) 2005-01-19 EP disclosed
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH 2004-02-19 US disclosed
US-20040019040-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-29 US disclosed
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-15 US disclosed
WO-2003091257-A1 [1,4]DIAZOCINO [7,8,1-hi]INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 WO disclosed
WO-2003091251-A1 1,2,3,4,7,8-HEXAHYDRO-6H-[1,4]DIAZEPINO[6,7,1-1J]QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 WO disclosed
WO-2003091250-A1 [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 WO disclosed
US-4360511-A Amines useful as brain imaging agents MEDI-PHYSICS, INC. (US) 1982-11-23 US 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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A HTR2A 6/4885HTR2C 1/4885HTR2B 4/4885
US-20040019040-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR7 HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885HTR2C 44/4885HTR2B 85/4885
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D HTR2A 6/4885HTR2C 1/4885HTR2B 14/4885
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents HTR1A, HTR2C, HTR1D HTR2A 9/4885HTR2C 2/4885HTR2B 11/4885

“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.