SCHEMBL17844492

SCHEMBL17844492

Cn1nccc1C(c1ccccc1)N1CCN(CCc2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CCR2 P41597 1/20 0.44
P2RX7 Q99572 4/20 0.44
OPRM1 P35372 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL17844469 0.95 SLC1A2 (0.46) HDAC4HDAC1TDP1L3MBTL1HRH3
SCHEMBL17865306 0.94 HDAC4 (0.51) HDAC4HDAC1CYP1A2CYP3A4P2RX7
SCHEMBL17844620 0.88 MEN1 (0.50) HDAC4HDAC1DRD2DRD4DRD3
SCHEMBL17865308 0.87 SLC1A2 (0.56) HDAC4HDAC1TDP1
SCHEMBL17844470 0.87 SLC1A2 (0.48) HDAC4HDAC1P2RX7OPRM1SIGMAR1
SCHEMBL17865265 0.84 SIGMAR1 (0.55) HRH3SIGMAR1
SCHEMBL17844465 0.83 SLC6A3 (0.50) HDAC4HDAC1P2RX7OPRM1SIGMAR1
SCHEMBL17844457 0.83 OPRD1 (0.51) HDAC4HDAC1CYP1A2CYP3A4OPRM1
SCHEMBL17844616 0.83 OPRD1 (0.48) HDAC4HDAC1P2RX7OPRM1
SCHEMBL17865305 0.83 ATM (0.59) HDAC4HDAC1HRH3CYP1A2CYP3A4

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 HDAC4 911/4885HDAC1 408/4885TDP1 3635/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 HDAC4 911/4885HDAC1 408/4885TDP1 3635/4885

“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.