SCHEMBL17847829

SCHEMBL17847829

CN(CCOC(c1ccccc1O)c1ccnn1C)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
APP P05067 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL17847840 0.90 MEN1 (0.39) ATMSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL17861193 0.87 TSHR (0.43) ATMALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL17861183 0.87 ALDH1A1 (0.41) ATMALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL19471219 0.85 SLC6A2 (0.50) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL17861157 0.85 SLC6A2 (0.50) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL17861135 0.85 SLC6A2 (0.50) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL17847839 0.85 SLC6A2 (0.43) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL17861123 0.81 SLC6A2 (0.44) SMN1; SMN2SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL17847916 0.81 SLC6A2 (0.46) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL17861160 0.80 MEN1 (0.38) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3

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 10 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-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-10-25 EP claimed
WO-2016096127-A1 METHYL-1H-PYRAZOLE ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-06-23 WO claimed
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
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

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 ATM 3227/4885ALDH1A1 1431/4885SMN1; SMN2 1246/4885
US-10071968-B2 Methyl-1H-pyrazole alkylamine compounds having multimodal activity against pain OPRM1, OPRD1, OPRK1 ATM 2947/4885ALDH1A1 1556/4885SMN1; SMN2 1262/4885

“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.