SCHEMBL17844563

SCHEMBL17844563

Cn1nccc1C(c1cncc(F)c1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
KCNH2 Q12809 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC1A2 P43004 3/20 0.44
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 3/20 0.40
MC4R P32245 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL17865308 0.85 SLC1A2 (0.56) SLC1A2SLC1A3KMT2AMC4RHDAC4
SCHEMBL17865306 0.85 HDAC4 (0.51) OPRM1KCNH2SIGMAR1SLC6A4SLC6A3
SCHEMBL17844620 0.84 MEN1 (0.50) SLC1A2SLC6A4SLC6A3KMT2AMC4R
SCHEMBL17844469 0.84 SLC1A2 (0.46) SIGMAR1SLC1A2SLC6A3SLC1A3HDAC4
SCHEMBL17844465 0.83 SLC6A3 (0.50) OPRM1KCNH2SIGMAR1SLC1A2SLC6A4
SCHEMBL17844492 0.82 HDAC4 (0.48) OPRM1SIGMAR1HDAC4HDAC1
SCHEMBL17844470 0.81 SLC1A2 (0.48) OPRM1SIGMAR1SLC1A2SLC1A3KMT2A
SCHEMBL17844567 0.80 SLC6A4 (0.42) OPRM1KCNH2SIGMAR1SLC1A2SLC6A4
SCHEMBL17844457 0.79 OPRD1 (0.51) OPRM1SIGMAR1SLC1A2HDAC4HDAC1
SCHEMBL17844501 0.78 SIGMAR1 (0.46) OPRM1KCNH2SIGMAR1SLC1A2SLC6A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

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

“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.