SCHEMBL275648

SCHEMBL275648

NCC1(c2c[nH]c3ccccc23)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
SLC6A3 Q01959 6/20 0.54
SLC6A2 P23975 4/20 0.54
CYP2D6 P10635 2/20 0.52
DPP4 P27487 1/20 0.47
CYP3A4 P08684 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR7 P34969 1/20 0.44
CTSK P43235 1/20 0.44
HTR6 P50406 1/20 0.44
CYP2A13 Q16696 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PMP22 Q01453 1/20 0.42

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
SCHEMBL278686 0.97 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2CYP2D6DPP4
SCHEMBL998925 0.93 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL23629443 0.92 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL16802041 0.79 MAPT (0.55) SLC6A4SLC6A3SLC6A2CYP2D6MAPT
SCHEMBL18324739 0.79 TDO2 (0.48) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL28595479 0.78 MAPT (0.52) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL7837946 0.77 CYP2D6 (0.44) SLC6A4SLC6A3SLC6A2CYP2D6MAPT
SCHEMBL1413413 0.75 CYP2D6 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL30344459 0.74 CYP2D6 (0.48) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL3243758 0.71 HDAC1 (0.55) SLC6A4SLC6A3SLC6A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
CN-102358741-A Azepinoindole derivatives as pharmaceutical agents EXELIXIS INC 2012-02-22 CN disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
CN-1914207-A Aza * -indoline derivatives as medicaments EXELIXIS INC (US) 2007-02-14 CN disclosed
EP-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR SLC6A4 383/4885SLC6A3 380/4885SLC6A2 571/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C SLC6A4 257/4885SLC6A3 236/4885SLC6A2 359/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR SLC6A4 383/4885SLC6A3 380/4885SLC6A2 571/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR SLC6A4 1455/4885SLC6A3 1370/4885SLC6A2 2056/4885

“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.