SCHEMBL734588

SCHEMBL734588

OCCCc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.63
CYP3A4 P08684 4/20 0.62
HTR2A P28223 3/20 0.62
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 3/20 0.62
HTR2C P28335 2/20 0.62
MPO P05164 1/20 0.62
CYP2A6 P11509 1/20 0.62
NFKB1 P19838 1/20 0.62
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
HTR7 P34969 1/20 0.62
CTSK P43235 1/20 0.62
HTR6 P50406 1/20 0.62
CYP2A13 Q16696 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
HTR1A P08908 3/20 0.61
PMP22 Q01453 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60

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
SCHEMBL31366243 1.00 SLC6A4 (0.63) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL29441817 0.95 SLC6A4 (0.61) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL734204 0.95 SLC6A4 (0.61) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL1518996 0.93 SLC6A4 (0.59) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL1518978 0.93 SLC6A4 (0.59) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL29391207 0.93 SLC6A4 (0.59) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL1518985 0.93 SLC6A4 (0.59) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL1519001 0.93 SLC6A4 (0.59) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL1293186 0.93 SLC6A4 (0.59) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6
SCHEMBL28649099 0.93 SLC6A4 (0.59) SLC6A4CYP3A4HTR2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276288-B Synthesis method and application of chiral alpha-propargyl-3-indole compound and derivative thereof 中山大学 2023-11-03 CN claimed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP claimed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP claimed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US claimed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO claimed
EP-0439796-B1 Indolylpropanols, process for their preparation, and their use and preparations containing them BEIERSDORF LILLY GMBH (DE) 1996-01-24 EP claimed
EP-0297380-B1 Indolyl propanols, process for their preparation, their uses and preparation containing them BEIERSDORF LILLY GMBH (DE) 1994-10-05 EP claimed
US-5145849-A Inotropic and antiarrythmia agents; sodium channel inhibitors BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-09-08 US claimed
US-4935414-A New indolylpropanols, processes for their preparation and their use, and preparations containing the compounds BEIERSDORF AG (DE) 1990-06-19 US claimed
JP-4210979-A None JP disclosed
EP-0297380-A2 Indolyl propanols, process for their preparation, their uses and preparation containing them Beiersdorf-Lilly GmbH (DE) 1989-01-04 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 (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-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SLC6A4 972/4885CYP3A4 695/4885HTR2A 235/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 SLC6A4 130/4885CYP3A4 4129/4885HTR2A 168/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 SLC6A4 130/4885CYP3A4 4129/4885HTR2A 168/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SLC6A4 972/4885CYP3A4 695/4885HTR2A 235/4885

“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.