SCHEMBL1734458

SCHEMBL1734458

Clc1ccc2c(c1)N(Cc1ncc[nH]1)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 1/20 0.48
ALOX15 P16050 1/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
NOTUM Q6P988 1/20 0.39
KCNH2 Q12809 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PRKG1 Q13976 2/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.36
TAAR1 Q96RJ0 4/20 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
SCHEMBL1735400 0.90 TRPV1 (0.47) HTR2AHTR2CHTR2BALOX15HDAC1
SCHEMBL1735276 0.84 ALOX15 (0.45) HTR2AHTR2CHTR2BALOX15HDAC1
SCHEMBL1735399 0.84 ALOX15 (0.45) HTR2BALOX15HDAC1HDAC6TRPV1
SCHEMBL1735280 0.81 KDM4E (0.45) HTR2CHTR2BALOX15HDAC1HDAC6
SCHEMBL1736518 0.81 ALDH1A1 (0.42) HTR2AHTR2CHTR2BALOX15TRPV1
SCHEMBL1734413 0.81 TAAR1 (0.55) ALOX15TRPV1FNTAFNTBTRPM5
SCHEMBL1735392 0.78 ALOX15 (0.47) HTR2AHTR2CHTR2BALOX15HDAC1
SCHEMBL1734447 0.76 ALOX15 (0.45) HTR2BALOX15HDAC1HDAC6TRPV1
SCHEMBL1734450 0.76 ALOX15 (0.45) HTR2AHTR2CHTR2BALOX15HDAC1
SCHEMBL1735373 0.76 ALOX15 (0.45) HTR2AHTR2CALOX15TRPV1NOTUM

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 16 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
CN-101535292-A Substituted 2-imidazoles as modulators of the trace amine associated receptors HOFFMANN LA ROCHE (CH) 2009-09-16 CN 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
CN-101535292-A Substituted 2-imidazoles as modulators of the trace amine associated receptors HOFFMANN LA ROCHE (CH) 2009-09-16 CN 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
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 HTR2A 35/4885HTR2C 39/4885HTR2B 80/4885

“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.