SCHEMBL1735337

SCHEMBL1735337

C[C@H]1Cc2cc(Cl)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
AHR P35869 1/20 0.42
HTR2C P28335 8/20 0.40
HTR2A P28223 7/20 0.40
HTR2B P41595 7/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
HTR5A P47898 3/20 0.39
DRD4 P21917 2/20 0.39
HTR1D P28221 2/20 0.39
HTR7 P34969 2/20 0.39
HTR3A P46098 2/20 0.39

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
SCHEMBL1734493 1.00 LMNA (0.46) LMNAGAAMAPTAHRHTR2C
SCHEMBL3526361 1.00 LMNA (0.46) LMNAGAAMAPTAHRHTR2C
SCHEMBL7897325 0.86 CMA1 (0.43) AHRHTR2CHTR2AHTR2BKDM4E
SCHEMBL10841091 0.81 HTR2C (0.41) AHRHTR2CHTR2AHTR2BKDM4E
SCHEMBL29659975 0.81 HTR2C (0.41) AHRHTR2CHTR2AHTR2BKDM4E
SCHEMBL20156702 0.81 LMNA (0.49) LMNAGAAMAPTKDM4EALDH1A1
SCHEMBL19289729 0.81 LMNA (0.49) LMNAGAAMAPTKDM4EALDH1A1
SCHEMBL12965849 0.79 AR (0.45) LMNAGAAMAPTALDH1A1ADRA2A
SCHEMBL7922397 0.78 GAA (0.47) LMNAGAAMAPTHTR2CHTR2A
SCHEMBL30101714 0.78 GAA (0.47) LMNAGAAMAPTHTR2CHTR2A

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 6 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
US-20110264029-A1 IONTOPHORETIC DELIVERY SYSTEM Kopman, Stanley E. (CA) 2011-10-27 US disclosed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LMNA 2886/4885GAA 3213/4885MAPT 408/4885
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 LMNA 4592/4885GAA 4000/4885MAPT 3290/4885

“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.