SCHEMBL17844489

SCHEMBL17844489

Cn1nccc1C(c1ccccc1)N1CCN(CCc2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.46
THRB P10828 1/20 0.45
OPRM1 P35372 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
KCNH2 Q12809 1/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL17844460 0.86 DRD2 (0.43) P2RX7
SCHEMBL17865306 0.85 HDAC4 (0.51) P2RX7OPRM1SIGMAR1KCNH2KDM4E
SCHEMBL17844463 0.84 NOS3 (0.41) P2RX7
SCHEMBL17844565 0.83 OPRM1 (0.40) THRBOPRM1SIGMAR1KCNH2TP53
SCHEMBL17844492 0.82 HDAC4 (0.48) P2RX7OPRM1SIGMAR1
SCHEMBL17844473 0.82 P2RX7 (0.43) P2RX7ALDH1A1
SCHEMBL17844500 0.82 P2RX7 (0.43) P2RX7KCNH2KDM4EADRA1A
SCHEMBL17844560 0.82 KMT2A (0.41) P2RX7OPRM1SIGMAR1ALDH1A1
SCHEMBL17844452 0.81 NOS1 (0.41) P2RX7
SCHEMBL17844620 0.81 MEN1 (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 10 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
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 P2RX7 12/4885THRB 670/4885OPRM1 2/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 P2RX7 12/4885THRB 670/4885OPRM1 2/4885

“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.