SCHEMBL17865265

SCHEMBL17865265

COc1ccc(C(c2ccnn2C)N2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.55
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
SMPD1 P17405 1/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL17865306 0.90 HDAC4 (0.51) SIGMAR1ADRA1D
SCHEMBL17844474 0.89 SIGMAR1 (0.59) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL17865266 0.89 SIGMAR1 (0.55) SIGMAR1HRH3
SCHEMBL17844469 0.86 SLC1A2 (0.46) SIGMAR1HRH3
SCHEMBL17865264 0.84 KCNH2 (0.54) SIGMAR1LMNAADRA1DADRA1AADRA1B
SCHEMBL17844492 0.84 HDAC4 (0.48) SIGMAR1HRH3
SCHEMBL17844620 0.82 MEN1 (0.50)
SCHEMBL17844470 0.81 SLC1A2 (0.48) SIGMAR1
SCHEMBL17865308 0.81 SLC1A2 (0.56) LMNA
SCHEMBL17865311 0.80 SIGMAR1 (0.59) SIGMAR1HRH3

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 8 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
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 SIGMAR1 3/4885LMNA 4396/4885NPC1 2189/4885
US-10189828-B2 1-methylpyrazole-piperazine compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 SIGMAR1 3/4885LMNA 4396/4885NPC1 2189/4885

“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.