SCHEMBL17847898

SCHEMBL17847898

CN(CCCOC(c1ccccc1)c1ccnn1C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
SLC6A3 Q01959 5/20 0.48
SIGMAR1 Q99720 2/20 0.48
LMNA P02545 3/20 0.43
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL19471219 0.93 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL17861157 0.93 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL17861135 0.93 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL4910683 0.87 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL17861123 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL17847839 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL17861155 0.85 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL19471188 0.85 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL19471207 0.85 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL17861152 0.85 LMNA (0.39) SLC6A2SLC6A4SLC6A3SIGMAR1LMNA

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-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP 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.