SCHEMBL17847916

SCHEMBL17847916

CN(CCOC(c1ccccn1)c1ccnn1C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 3/20 0.46
LMNA P02545 2/20 0.46
CHRM2 P08172 2/20 0.46
ADRA2B P18089 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
ACHE P22303 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL17861135 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNACHRM2
SCHEMBL19471219 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNACHRM2
SCHEMBL17861157 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNACHRM2
SCHEMBL17861123 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3LMNACHRM2
SCHEMBL17847829 0.81 ATM (0.40) SLC6A2SLC6A4SLC6A3TSHRACHE
SCHEMBL17861183 0.81 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3TSHRHTR1D
SCHEMBL17847839 0.81 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNACHRM2
SCHEMBL17861193 0.81 TSHR (0.43) SLC6A2SLC6A4SLC6A3LMNAPOLB
SCHEMBL17861309 0.81 HTR3E (0.40) SLC6A2SLC6A4SLC6A3LMNATSHR
SCHEMBL19471241 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP claimed
US-10071968-B2 Methyl-1H-pyrazole alkylamine compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS S.A. (ES) 2018-09-11 US claimed
US-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-10-26 US claimed
EP-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP disclosed
EP-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP disclosed
US-10071968-B2 Methyl-1H-pyrazole alkylamine compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS S.A. (ES) 2018-09-11 US disclosed
US-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-10-26 US disclosed
US-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-10-26 US disclosed
US-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-10-26 US disclosed
EP-3233805-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-10-25 EP disclosed
WO-2016096127-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-06-23 WO disclosed
WO-2016096127-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-06-23 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-20170305862-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 SLC6A2 1232/4885SLC6A4 679/4885SLC6A3 961/4885
US-10071968-B2 Methyl-1H-pyrazole alkylamine compounds having multimodal activity against pain OPRM1, OPRD1, OPRK1 SLC6A2 1129/4885SLC6A4 655/4885SLC6A3 906/4885

“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.