SCHEMBL17865260

SCHEMBL17865260

Cn1nccc1C(O)c1cccc(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
ADRB1 P08588 1/20 0.46
IRAK4 Q9NWZ3 3/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
CBLB Q13191 1/20 0.33
IDH1 O75874 5/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
P2RX7 Q99572 1/20 0.33
TGFBR1 P36897 1/20 0.32
NOTUM Q6P988 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32

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
SCHEMBL17844451 0.73 MAPT (0.44)
SCHEMBL17865253 0.72 SYK (0.39) SYKOXTRAVPR1A
SCHEMBL17865251 0.72 SYK (0.43) SYKIDH1P2RX7OXTRAVPR1A
SCHEMBL13184023 0.72 ADRB1 (0.58) ADRB1IDH1P2RX7NOTUM
SCHEMBL19540540 0.71 ADRB1 (0.57) ADRB1TAS2R14IDH1ADORA2AADORA1
SCHEMBL17865256 0.69 SYK (0.39) SYKOXTRAVPR1A
SCHEMBL24508311 0.69 ADRB1 (0.54) ADRB1IRAK4TAS2R14IDH1ADORA2A
SCHEMBL2788882 0.69 KDM4E (0.50)
SCHEMBL7590836 0.69 KDM4E (0.50)
SCHEMBL7589137 0.69 KDM4E (0.50)

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 SYK 1389/4885ADRB1 22/4885IRAK4 889/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 SYK 1389/4885ADRB1 22/4885IRAK4 889/4885

“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.