SCHEMBL3136478

SCHEMBL3136478

Clc1ccc2c(c1)CNCCN2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
HTR2A P28223 8/20 0.46
HTR2C P28335 8/20 0.46
HTR2B P41595 4/20 0.46
AHR P35869 2/20 0.42
DRD4 P21917 3/20 0.40
DRD2 P14416 1/20 0.40
HTR5A P47898 3/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR1D P28221 2/20 0.39
HTR7 P34969 2/20 0.39
HTR3A P46098 2/20 0.39
ASIC3 Q9UHC3 1/20 0.38
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
F7 P08709 1/20 0.36
PARP1 P09874 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL6618092 0.85 PNMT (0.56) PNMTHTR2AHTR2CHTR2BAHR
SCHEMBL154428 0.78 DRD4 (0.64) PNMTHTR2AHTR2CHTR2BAHR
SCHEMBL3141361 0.77 PNMT (0.56) PNMTHTR2AHTR2CHTR2BAHR
SCHEMBL27380716 0.77 HTR5A (0.39) PNMTHTR2AHTR2CHTR2BAHR
SCHEMBL19657741 0.77 GAA (0.41) PNMTDRD4DRD2HTR5APARP1
SCHEMBL19657606 0.77 PNMT (0.56) PNMTDRD4DRD2ADRA2AADRA2B
SCHEMBL30895914 0.77 HTR5A (0.39) PNMTHTR2AHTR2CHTR2BAHR
SCHEMBL2062448 0.77 HTR2A (0.38) PNMTHTR2AHTR2CHTR2BDRD4
Bromide SCHEMBL949153 0.76 DRD4 (0.62) PNMTHTR2AHTR2CHTR2BAHR
SCHEMBL8089058 0.74 KDM4E (0.48) PNMTHTR2AHTR2CHTR2BAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US 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-7687620-B2 [1,4]diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents WYETH LLC (US) 2010-03-30 US disclosed
EP-1497293-B1 (1,4)DIAZEPINO(6,7,1-IJ)QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS WYETH CORP (US) 2008-06-11 EP disclosed
US-20070004707-A1 [1,4]Diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents RAMAMOORTHY P S 2007-01-04 US disclosed
US-7129237-B2 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-10-31 US disclosed
CN-1662533-A [1,4] diazepino [6,7, 1-IJ ] quinoline derivatives as antipsychotic and antiobesity agents WYETH CORP (US) 2005-08-31 CN 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
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-15 US 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-6503900-B2 For treatment or prevention of disorders such as obsessive-compulsive disorder, depression, anxiety, schizophrenia WYETH 2003-01-07 US disclosed
US-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-07-04 US disclosed
WO-2002036596-A2 CYCLOALKYL[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2002-05-10 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-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives GRIK1, GRIK3, GRIK4 PNMT 1293/4885HTR2A 169/4885HTR2C 31/4885
US-20070004707-A1 [1,4]Diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D PNMT 445/4885HTR2A 7/4885HTR2C 1/4885
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof CYP3A7, CYP51A1, NT5C3B PNMT 1830/4885HTR2A 4645/4885HTR2C 4091/4885
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D PNMT 494/4885HTR2A 6/4885HTR2C 1/4885

“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.