SCHEMBL632964

SCHEMBL632964

COc1cc(N(C)Cc2c[nH]cn2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1E P28566 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HTR3A P46098 1/20 0.35
HTR5A P47898 1/20 0.35
HTR6 P50406 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
DHFR P00374 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 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
SCHEMBL631732 0.85 TAAR1 (0.39)
SCHEMBL631771 0.85 ALDH1A1 (0.39) HTR1AHTR2CHTR7HTR2BHTR5A
SCHEMBL633347 0.82 PIM1 (0.34)
SCHEMBL632707 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL13177255 0.75 KDM4E (0.47) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL631971 0.75 TAAR1 (0.37) ALDH1A1MAPT
SCHEMBL631847 0.75 TAAR1 (0.38) MAPT
SCHEMBL14189415 0.74 TAAR1 (0.61)
SCHEMBL3176870 0.74 TAAR1 (0.55) DYRK1AALDH1A1MAPT
SCHEMBL632483 0.74 DHFR (0.37) DHFR

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 HTR1A 32/4885HTR1D 43/4885HTR1B 54/4885

“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.