SCHEMBL17865252

SCHEMBL17865252

Cn1nccc1C(O)c1ncccc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
SYK P43405 1/20 0.34
CNR1 P21554 1/20 0.34
NAPRT Q6XQN6 1/20 0.33
PRKDC P78527 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 4/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
F2RL1 P55085 1/20 0.32
MPI P34949 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CTSA P10619 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL17847835 0.78 CES2 (0.39) SYKPRKDCKCNH2KDM4EF2RL1
SCHEMBL20385444 0.74 LMNA (0.53) ADORA2AADORA2BCNR1NAPRTKDM4E
SCHEMBL17844451 0.73 MAPT (0.44) KCNH2KDM4EALDH1A1
SCHEMBL17865256 0.72 SYK (0.39) SYKKCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL7589137 0.72 KDM4E (0.50) KDM4EALDH1A1
SCHEMBL2788882 0.72 KDM4E (0.50) KDM4EALDH1A1
SCHEMBL7590836 0.72 KDM4E (0.50) KDM4EALDH1A1
SCHEMBL25211250 0.71 TRPM8 (0.41) CNR1NAPRTKCNH2KDM4ETRPM8
SCHEMBL1858360 0.71 TRPM8 (0.41) CNR1NAPRTKCNH2KDM4ETRPM8
SCHEMBL29858175 0.71 TRPM8 (0.41) CNR1NAPRTKCNH2KDM4ETRPM8

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 ADORA2A 139/4885ADORA2B 288/4885SYK 1389/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 ADORA2A 139/4885ADORA2B 288/4885SYK 1389/4885

“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.