SCHEMBL633081

SCHEMBL633081

COc1ccccc1NCc1cnc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.67
ADRA1A P35348 5/20 0.63
ADRA1D P25100 1/20 0.63
ADRA1B P35368 1/20 0.63
HTR3E A5X5Y0 2/20 0.57
HTR3B O95264 2/20 0.57
HTR3A P46098 2/20 0.57
HTR3D Q70Z44 2/20 0.57
HTR3C Q8WXA8 2/20 0.57
TAAR1 Q96RJ0 1/20 0.56
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
ROCK2 O75116 1/20 0.47
GRK2 P25098 1/20 0.47
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL632199 0.78 KDM4E (0.54) CYP3A4CYP2D6TSHR
SCHEMBL2906929 0.77 HRH4 (0.47) ADRA2CADRA1AADRA1DADRA1BHTR3E
SCHEMBL2741594 0.74 ADRA1A (0.64) ADRA1AADRA1DADRA1BHTR3EHTR3B
SCHEMBL8212391 0.73 PIP4K2A (0.54) TAAR1
SCHEMBL2741601 0.73 TAAR1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL633409 0.72 MAP3K8 (0.53) TAAR1
SCHEMBL8211561 0.72 TAAR1 (0.51) TAAR1
SCHEMBL10055049 0.72 ALDH1A1 (0.55) ROCK2GRK2
SCHEMBL4221809 0.72 ADRA2C (0.60) ADRA2CADRA1AADRA1DADRA1BTAAR1
SCHEMBL2877032 0.71 GBA1 (0.57) ROCK2GRK2

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 8 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
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
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US 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 ADRA2C 275/4885ADRA1A 415/4885ADRA1D 240/4885

“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.