SCHEMBL17844495

SCHEMBL17844495

Cn1nccc1C(c1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MGLL Q99685 2/20 0.49
CYP3A4 P08684 2/20 0.48
CYP3A5 P20815 2/20 0.48
GLS O94925 1/20 0.48
NR2E1 Q9Y466 1/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.44
MAOB P27338 1/20 0.43
KDM4D Q6B0I6 1/20 0.43

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
SCHEMBL4013471 0.85 KMT2A (0.67) KMT2AMEN1MGLLCYP3A4NPSR1
SCHEMBL19715895 0.84 KMT2A (0.55) KMT2AMEN1MGLLNR2E1NPSR1
SCHEMBL23033352 0.80 ALDH1A1 (0.52) KMT2AMEN1MGLLCYP3A4CYP3A5
SCHEMBL5688541 0.79 CACNA2D1 (0.60) KMT2AMEN1MGLLCYP3A4CYP3A5
SCHEMBL6797094 0.79 KMT2A (0.58) KMT2AMEN1MGLLCYP3A4NPSR1
SCHEMBL23033355 0.78 KMT2A (0.48) KMT2AMEN1MGLLCYP3A4CYP3A5
SCHEMBL8115616 0.76 CYP2D6 (0.57) KMT2AMEN1MGLLGLSMAPT
SCHEMBL3805489 0.76 CYP2D6 (0.57) KMT2AMEN1MGLLGLSMAPT
SCHEMBL15093706 0.76 CYP3A4 (0.71) KMT2AMEN1MGLLCYP3A4CYP3A5
SCHEMBL31071488 0.76 CYP3A4 (0.71) KMT2AMEN1MGLLCYP3A4CYP3A5

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 4 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-20170362215-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-12-21 US disclosed
EP-3233830-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-10-25 EP 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 KMT2A 2653/4885MEN1 4744/4885MGLL 1937/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 KMT2A 2653/4885MEN1 4744/4885MGLL 1937/4885

“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.