SCHEMBL2002124

SCHEMBL2002124

COc1ccc2c(CN(C)C)c[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.74
HTR2A P28223 2/20 0.64
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
CYP2D6 P10635 3/20 0.57
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
HTR2B P41595 2/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
CYP1A2 P05177 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57
HTR1F P30939 1/20 0.57
HTR7 P34969 1/20 0.57
HTR3A P46098 1/20 0.57

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
SCHEMBL1196012 0.88 HTR2A (0.74) HTR6HTR2AKMT2ACYP2D6MTNR1A
SCHEMBL25247611 0.85 HTR6 (1.00) HTR6HTR2AKMT2AMEN1CYP2D6
SCHEMBL27911671 0.83 GPR84 (0.75) HTR6HTR2AKMT2AMEN1CYP2D6
SCHEMBL15678386 0.82 HTR1B (0.57) HTR6HTR2AKMT2AMEN1CYP2D6
SCHEMBL25225331 0.82 HTR6 (0.67) HTR6HTR2AKMT2AMEN1CYP2D6
SCHEMBL25272783 0.82 HTR6 (0.75) HTR6HTR2AKMT2AMEN1CYP2D6
SCHEMBL8377078 0.82 HTR2A (0.69) HTR6HTR2AKMT2AMEN1CYP2D6
SCHEMBL2125628 0.81 HTR2A (0.68) HTR6HTR2AKMT2AMEN1CYP2D6
SCHEMBL8869870 0.80 HTR1A (0.63) HTR6HTR2AKMT2AMEN1CYP2D6
SCHEMBL13715395 0.79 HTR2A (0.75) HTR6HTR2AKMT2AMEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS University of Florida Research Foundation, Incorporation (US) 2024-02-29 US disclosed
EP-4210703-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS Expansion Therapeutics, Inc. (US) 2023-07-19 EP disclosed
WO-2022055922-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS EXPANSION THERAPEUTICS, INC. (US) 2022-03-17 WO disclosed
WO-2018213422-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS (US) 2018-11-22 WO disclosed
WO-2018187614-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS (US) 2018-10-11 WO disclosed
EP-2445497-B1 Use of derivatives of indoles for the treatment of cancer CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-08-02 EP disclosed
EP-2445497-B1 Use of derivatives of indoles for the treatment of cancer CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-08-02 EP disclosed
US-9212138-B2 Use of derivatives of indoles for the treatment of cancer COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-15 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 EP disclosed
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 US disclosed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 WO disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 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 (3 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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D HTR6 139/4885HTR2A 55/4885KMT2A 2667/4885
US-20240067639-A1 SMALL MOLECULES THAT TARGET THE RNA THAT CAUSES ALS FUS, SNRPE, RRBP1 HTR6 2485/4885HTR2A 3031/4885KMT2A 2470/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 HTR6 41/4885HTR2A 16/4885KMT2A 2413/4885

“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.