SCHEMBL3155807

SCHEMBL3155807

COc1cccc(CNCc2ncc[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
BCHE P06276 4/20 0.48
HDAC1 Q13547 2/20 0.48
SCN8A Q9UQD0 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR4 P22455 1/20 0.46
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL3164737 0.83 CHRM2 (0.47) CHRM2KMT2AMEN1ALDH1A1HTT
SCHEMBL1134127 0.81 CHRM2 (0.74) CHRM2KMT2AMEN1ALDH1A1HTT
SCHEMBL3171172 0.80 TAAR1 (0.61) KMT2AMEN1HTTSMN1; SMN2KDM4E
SCHEMBL1848506 0.80 ADRA2A (0.50) CHRM2ALDH1A1HTTSMN1; SMN2FGFR1
Hydrochloric Acid SCHEMBL6122475 0.79 CHRM2 (0.72) CHRM2KMT2AMEN1ALDH1A1HTT
SCHEMBL2475485 0.78 TAAR1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8807896 0.77 MAPT (0.53) CHRM2KMT2AMEN1ALDH1A1HTT
SCHEMBL8880839 0.76 KDM4E (0.77) CHRM2KMT2AMEN1ALDH1A1HTT
SCHEMBL30245831 0.76 KDM4E (0.77) CHRM2KMT2AMEN1ALDH1A1HTT
SCHEMBL4240977 0.76 ROCK1 (0.48) KDM4EBCHEHDAC1SCN8AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076496-B1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS HOFFMANN LA ROCHE (CH) 2010-03-31 EP claimed
EP-2076496-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US claimed
WO-2008046756-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 US disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO disclosed
EP-2076496-B1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
EP-2076496-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008046756-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS 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 (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-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 CHRM2 234/4885KMT2A 1074/4885MEN1 4177/4885
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HTR2C, AHR, HAX1 CHRM2 19/4885KMT2A 98/4885MEN1 1551/4885

“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.