SCHEMBL632641

SCHEMBL632641

CNS(=O)(=O)Cc1ccc(N(Cc2c[nH]cn2)C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.34
HTR1B P28222 3/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1E P28566 1/20 0.34
HTR1F P30939 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
HTR5A P47898 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
TAAR1 Q96RJ0 7/20 0.33
ALKBH5 Q6P6C2 1/20 0.32

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
SCHEMBL4047842 0.83 CNR2 (0.39) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL632131 0.80 TAAR1 (0.43) TAAR1
SCHEMBL631728 0.79 TAAR1 (0.38) TAAR1
SCHEMBL19668494 0.77 TAAR1 (0.55) TAAR1
SCHEMBL631757 0.77 TAAR1 (0.39) TAAR1
SCHEMBL632978 0.77 TAAR1 (0.38) TAAR1
SCHEMBL632308 0.77 TAAR1 (0.49) TAAR1
SCHEMBL14189397 0.76 TAAR1 (0.62) TAAR1
SCHEMBL632055 0.74 TAAR1 (0.42) TAAR1
SCHEMBL633219 0.73 TAAR1 (0.36) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R HTR1D 43/4885HTR1B 54/4885HTR1A 32/4885

“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.