SCHEMBL16827734

SCHEMBL16827734

Nc1cccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.78
▸ DRD4 P21917 5/20 0.78
▸ DRD3 P35462 5/20 0.78
▸ NOTUM Q6P988 2/20 0.51
▸ MAOA P21397 1/20 0.51
▸ CACNA2D1 P54289 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.46
▸ ADRA2C P18825 1/20 0.46

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
SCHEMBL16827643 0.86 DRD2 (0.76) DRD2DRD4DRD3NOTUML3MBTL1
SCHEMBL16827655 0.83 DRD2 (0.67) DRD2DRD4DRD3
SCHEMBL16835102 0.82 DRD2 (0.78) DRD2DRD4DRD3NOTUMMAOA
SCHEMBL18352418 0.81 DRD2 (0.68) DRD2DRD4DRD3NOTUMMAOA
SCHEMBL6014209 0.81 DRD4 (0.84) DRD2DRD4DRD3L3MBTL1TRPV1
SCHEMBL18357887 0.79 DRD2 (0.63) DRD2DRD4DRD3CACNA2D1
SCHEMBL16828015 0.78 DRD2 (0.62) DRD2DRD4DRD3CACNA2D1
SCHEMBL2660374 0.78 DRD4 (0.72) DRD2DRD4DRD3ADRA2C
SCHEMBL16827615 0.76 DRD2 (0.60) DRD2DRD4DRD3CACNA2D1
SCHEMBL18357888 0.76 DRD2 (0.60) DRD2DRD4DRD3NOTUMMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745361-B2 Piperazine derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-08-18 — — US disclosed
US-20190276415-A1 PIPERAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2019-09-12 — — US disclosed
US-10351535-B2 Piperazine derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-07-16 — — US disclosed
US-20170001967-A1 PIPERAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-01-05 — — US disclosed
US-20170001967-A1 PIPERAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-01-05 — — US disclosed
EP-3083563-A1 PIPERAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 — — EP disclosed
WO-2015092009-A1 PIPERAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 — — 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 (4 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-10745361-B2 Piperazine derivatives having multimodal activity against pain OPRD1, OPRM1, OPRL1 DRD2 46/4885DRD4 198/4885DRD3 73/4885
US-20190276415-A1 PIPERAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRM1, OPRL1 DRD2 46/4885DRD4 198/4885DRD3 73/4885
US-20170001967-A1 PIPERAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 DRD2 59/4885DRD4 241/4885DRD3 117/4885
US-10351535-B2 Piperazine derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 DRD2 59/4885DRD4 241/4885DRD3 117/4885

“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.

Send feedback