SCHEMBL3553536

SCHEMBL3553536

C[C@@H]1CN(Cc2ncc[nH]2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
ROCK1 Q13464 1/20 0.41
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
TAAR1 Q96RJ0 7/20 0.39
NOTUM Q6P988 1/20 0.38
PARP1 P09874 1/20 0.38
ALOX12 P18054 1/20 0.38
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL3553533 1.00 ALOX15 (0.43) ALOX15ROCK1FNTAFNTBTAAR1
SCHEMBL9501335 0.74 CACNA1I (0.54) ROCK1NOTUMALOX12CACNA1GCACNA1H
SCHEMBL1735318 0.74 ALOX15 (0.41) ALOX15FNTAFNTBTAAR1PARP1
SCHEMBL8202698 0.73 TAAR1 (0.54) FNTAFNTBTAAR1
SCHEMBL3524506 0.73 ROCK1 (0.39) ROCK1NOTUMALOX12CACNA1GCACNA1H
SCHEMBL3524505 0.73 ROCK1 (0.39) ROCK1NOTUMALOX12CACNA1GCACNA1H
SCHEMBL3524502 0.73 ROCK1 (0.39) ROCK1NOTUMALOX12CACNA1GCACNA1H
SCHEMBL13227810 0.71 NOTUM (0.50) ROCK1NOTUMALOX12CACNA1GCACNA1H
SCHEMBL1734413 0.70 TAAR1 (0.55) ALOX15FNTAFNTBTAAR1ALOX12
SCHEMBL1735440 0.70 KMT2A (0.51) ALOX15ROCK1FNTAFNTBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALOX15 2185/4885ROCK1 1675/4885FNTA 4029/4885

“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.