SCHEMBL17844459

SCHEMBL17844459

Cn1nccc1C(c1ccc(Cl)cn1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
DRD2 P14416 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
PRCP P42785 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL17844567 0.88 SLC6A4 (0.42) SIGMAR1PRCP
SCHEMBL17865309 0.86 SLC1A3 (0.47) MEN1KMT2ADRD2SIGMAR1HTR1A
SCHEMBL17865225 0.85 SIGMAR1 (0.42) SIGMAR1
SCHEMBL17865306 0.81 HDAC4 (0.51) DRD3CYP1A2CYP3A4TSHRDRD2
SCHEMBL17844485 0.80 SLC6A3 (0.46) MEN1KMT2ADRD2SIGMAR1PRCP
SCHEMBL17844469 0.78 SLC1A2 (0.46) CYP1A2CYP3A4DRD2SIGMAR1HTR1A
SCHEMBL17865224 0.78 HTR7 (0.37) SIGMAR1
SCHEMBL17865308 0.78 SLC1A2 (0.56) KMT2AALDH1A1
SCHEMBL17844565 0.77 OPRM1 (0.40) SIGMAR1
SCHEMBL17865222 0.77 SIGMAR1 (0.39) MEN1KMT2ADRD4DRD3DRD2

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 12 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 claimed
US-20170362215-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-12-21 US claimed
EP-3233830-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-10-25 EP claimed
WO-2016096126-A1 1-METHYLPYRAZOLE-PIPERAZINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-06-23 WO claimed
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
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
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 MEN1 4744/4885KMT2A 2653/4885DRD4 309/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 MEN1 4744/4885KMT2A 2653/4885DRD4 309/4885

“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.