SCHEMBL17844565

SCHEMBL17844565

Cn1nccc1C(c1ccc(F)cn1)N1CCN(CCc2ccccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
KCNH2 Q12809 1/20 0.40
THRB P10828 1/20 0.39
TP53 P04637 3/20 0.39
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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 0.89 SLC6A4 (0.42) OPRM1SIGMAR1KCNH2
SCHEMBL17865222 0.86 SIGMAR1 (0.39) OPRM1SIGMAR1KCNH2ADRA1A
SCHEMBL17844460 0.85 DRD2 (0.43)
SCHEMBL17844658 0.84 PRCP (0.35) OPRM1SIGMAR1KCNH2THRBTP53
SCHEMBL17844485 0.83 SLC6A3 (0.46) OPRM1SIGMAR1KCNH2
SCHEMBL17844489 0.83 P2RX7 (0.46) OPRM1SIGMAR1KCNH2THRBTP53
SCHEMBL17865224 0.81 HTR7 (0.37) OPRM1SIGMAR1
SCHEMBL17844453 0.80 SIGMAR1 (0.51) SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL17865309 0.79 SLC1A3 (0.47) OPRM1SIGMAR1
SCHEMBL17844459 0.77 MEN1 (0.40) SIGMAR1

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 OPRM1 2/4885SIGMAR1 3/4885KCNH2 633/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 OPRM1 2/4885SIGMAR1 3/4885KCNH2 633/4885

“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.