SCHEMBL1735449

SCHEMBL1735449

CC(C)Oc1ccc2c(c1)N(Cc1ncc[nH]1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
EZH2 Q15910 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
WDR5 P61964 1/20 0.34
TLK2 Q86UE8 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL1736736 0.88 HDAC1 (0.48) RORCHRH3HDAC1HDAC6ALOX15
SCHEMBL1736753 0.87 HRH3 (0.47) HRH3HDAC1HDAC6ALDH1A1ALOX15
SCHEMBL1735405 0.83 TAAR1 (0.39) HRH3HDAC1HDAC6LMNATP53
SCHEMBL1735386 0.81 HRH3 (0.45) HRH3ADRB2ADRB1ADRB3
SCHEMBL1735280 0.81 KDM4E (0.45) HDAC1HDAC6ALDH1A1TSHRALOX15
SCHEMBL12993176 0.79 TAAR1 (0.62) RORCHRH3HDAC1HDAC6LMNA
SCHEMBL1736709 0.79 HDAC1 (0.48) HRH3HDAC1HDAC6TP53ALOX15
SCHEMBL3533600 0.78 RORC (0.44) RORCHRH3HDAC1HDAC6LMNA
SCHEMBL1736704 0.76 TAAR1 (0.56) HDAC1HDAC6LMNATP53ALDH1A1
SCHEMBL1735276 0.74 ALOX15 (0.45) HDAC1HDAC6ALDH1A1ALOX15TAAR1

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 12 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 disclosed
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
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 RORC 262/4885HRH3 276/4885HDAC1 2190/4885

“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.