SCHEMBL17847860

SCHEMBL17847860

COc1ccccc1C(O)c1ccnn1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP19A1 P11511 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PDE10A Q9Y233 1/20 0.39
BRD4 O60885 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38

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
SCHEMBL17847843 0.81 GABRA1 (0.41) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL4908659 0.81 GAA (0.47) SMN1; SMN2RAB9AALDH1A1IDO1TDO2
SCHEMBL4900429 0.79 KDM4C (0.38) CYP19A1ALDH1A1MAPTHTT
SCHEMBL7590836 0.76 KDM4E (0.50) SMN1; SMN2CYP19A1ALDH1A1POLBHTT
SCHEMBL2788882 0.76 KDM4E (0.50) SMN1; SMN2CYP19A1ALDH1A1POLBHTT
SCHEMBL7589137 0.76 KDM4E (0.50) SMN1; SMN2CYP19A1ALDH1A1POLBHTT
SCHEMBL4900328 0.76 SMN1; SMN2 (0.49) SMN1; SMN2MAPTHTTL3MBTL1MEN1
SCHEMBL238441 0.75 CA1 (0.57) SMN1; SMN2TDP1ACHECHRM2CHRM4
SCHEMBL29006263 0.74 HTT (0.39) ALDH1A1POLBHTTNPSR1L3MBTL1
SCHEMBL17861298 0.74 IDO1 (0.38) SMN1; SMN2TDP1CYP19A1RAB9APDE10A

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 15 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 disclosed
EP-3233805-B1 METHYL-1H-PYRAZOLE-ALKYLAMINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-02-06 EP disclosed
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2019-01-29 US disclosed
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2019-01-29 US 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-20170362215-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-12-21 US disclosed
US-20170362215-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-12-21 US disclosed
US-20170362215-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-12-21 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
WO-2016096126-A1 1-METHYLPYRAZOLE-PIPERAZINE 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 (4 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 SMN1; SMN2 1246/4885TDP1 2126/4885ACHE 110/4885
US-10071968-B2 Methyl-1H-pyrazole alkylamine compounds having multimodal activity against pain OPRM1, OPRD1, OPRK1 SMN1; SMN2 1262/4885TDP1 2495/4885ACHE 88/4885
US-20170362215-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRM1, SIGMAR1 SMN1; SMN2 1467/4885TDP1 3635/4885ACHE 88/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 SMN1; SMN2 1467/4885TDP1 3635/4885ACHE 88/4885

“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.