SCHEMBL1734486

SCHEMBL1734486

COc1cccc2c1CCN2Cc1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
NOTUM Q6P988 1/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
HTR6 P50406 3/20 0.41
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HTR1A P08908 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
SCHEMBL3823511 0.86 FNTA (0.38) ADRA2AADRA1ANOTUMMAPTTDP1
SCHEMBL1734439 0.83 TAAR1 (0.49) NOTUMMAPTTDP1KDM4EALOX15
SCHEMBL1735365 0.81 ALOX15 (0.42) ADRA2AADRA1AMAPTTDP1KDM4E
SCHEMBL1734436 0.81 TAAR1 (0.49) ADRA2AADRA1ANOTUMMAPTTDP1
SCHEMBL1735415 0.79 HTR2C (0.40) ADRA1AMAPTTDP1HDAC1HDAC6
SCHEMBL1734420 0.78 ROCK1 (0.50) MAPTTDP1HDAC1HDAC6ALOX15
SCHEMBL8209031 0.78 TAAR1 (0.61) NOTUMHDAC1HDAC6FNTAFNTB
SCHEMBL3524800 0.78 NOTUM (0.44) NOTUMHDAC1HDAC6HTR6DRD2
SCHEMBL3822149 0.77 HTR6 (0.35) MAPTTDP1HDAC1HDAC6KDM4E
SCHEMBL1734413 0.76 TAAR1 (0.55) MAPTTDP1KDM4EALOX15FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086959-B1 SUBSTITUTED 2-IMIDAZOLES AS MODULATORS OF THE TRACE AMINE ASSOCIATED RECEPTORS HOFFMANN LA ROCHE (CH) 2011-11-16 EP claimed
US-20110264029-A1 IONTOPHORETIC DELIVERY SYSTEM Kopman, Stanley E. (CA) 2011-10-27 US claimed
US-7834044-B2 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder HOFFMAN-LAROCHE INC. (US) 2010-11-16 US claimed
US-20080113980-A1 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder HOFFMANN-LA ROCHE, INC. 2008-05-15 US claimed
EP-2086959-B1 SUBSTITUTED 2-IMIDAZOLES AS MODULATORS OF THE TRACE AMINE ASSOCIATED RECEPTORS HOFFMANN LA ROCHE (CH) 2011-11-16 EP disclosed
US-20110264029-A1 IONTOPHORETIC DELIVERY SYSTEM Kopman, Stanley E. (CA) 2011-10-27 US disclosed
US-7834044-B2 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder HOFFMAN-LAROCHE INC. (US) 2010-11-16 US disclosed
US-7834044-B2 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder HOFFMAN-LAROCHE INC. (US) 2010-11-16 US disclosed
US-7834044-B2 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder HOFFMAN-LAROCHE INC. (US) 2010-11-16 US disclosed
EP-2086959-A1 SUBSTITUTED 2-IMIDAZOLES AS MODULATORS OF THE TRACE AMINE ASSOCIATED RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2009-08-12 EP disclosed
US-20080113980-A1 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder HOFFMANN-LA ROCHE, INC. 2008-05-15 US disclosed
US-20080113980-A1 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder HOFFMANN-LA ROCHE, INC. 2008-05-15 US disclosed
US-20080113980-A1 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder HOFFMANN-LA ROCHE, INC. 2008-05-15 US disclosed
WO-2008052907-A1 SUBSTITUTED 2-IMIDAZOLES AS MODULATORS OF THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 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 (1 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-20080113980-A1 1-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole; good affinity to the trace amine associated receptors (TAARs), especially for TAAR1; psychotic disorders; neurodegenerative disorders; malfunction of body temperature homeostasis; cardiovascular disorders; depression, anxiety disorders, bipolar disorder TAAR1, TAAR5, MCHR1 ADRA2A 104/4885ADRA1A 45/4885NOTUM 4765/4885

“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.