SCHEMBL17865258

SCHEMBL17865258

COc1cccc(C(O)c2ccnn2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
KDM4A O75164 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
AOC3 Q16853 2/20 0.43
BRD4 O60885 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B2 P37059 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
GRIN2B Q13224 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CASR P41180 1/20 0.39
MAPT P10636 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL4910223 0.82 ALDH1A1 (0.50) AOC3BRD4L3MBTL1IDO1TDO2
SCHEMBL7589137 0.80 KDM4E (0.50)
SCHEMBL2788882 0.80 KDM4E (0.50)
SCHEMBL7590836 0.80 KDM4E (0.50)
SCHEMBL4910814 0.79 MAPK1 (0.42) BRD4HSD17B2IDO1TDO2
SCHEMBL2093768 0.78 AOC3 (0.59) PKMAOC3BRD4L3MBTL1CHRM2
SCHEMBL31568314 0.77 FGFR2 (0.57) PKMKDM4AKDM4CFGFR2FGFR4
SCHEMBL477338 0.76 AOC3 (0.54) PKMAOC3BRD4L3MBTL1CHRM2
SCHEMBL27686957 0.76 AOC3 (0.54) PKMAOC3BRD4L3MBTL1CHRM2
SCHEMBL29006279 0.76 ALDH1A1 (0.43) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20170362215-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRM1, SIGMAR1 PKM 2394/4885KDM4A 3532/4885KDM4C 4094/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 PKM 2394/4885KDM4A 3532/4885KDM4C 4094/4885

“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.