SCHEMBL19095286

SCHEMBL19095286

CN(C(=O)CN)c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.34
▸ AOC3 Q16853 7/20 0.34
▸ FAAH O00519 1/20 0.34
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33
▸ GABRG1 Q8N1C3 2/20 0.33
▸ GABRG3 Q99928 2/20 0.33
▸ GABRQ Q9UN88 2/20 0.33

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
SCHEMBL29382234 0.81 P2RX7 (0.41) P2RX7HSP90AA1FAAHGRM1SLC6A2
SCHEMBL13627914 0.79 P2RX7 (0.38) P2RX7HSP90AA1FAAHGRM1SLC6A2
SCHEMBL29006799 0.75 HSP90AA1 (0.39) P2RX7HSP90AA1GRM1SLC6A2
SCHEMBL14108177 0.75 KDM4E (0.47) AOC3GABRPGABRDGABRA1GABRB1
SCHEMBL3826782 0.72 KDM4E (0.57) GRM1KMT2AKDM4E
SCHEMBL29901355 0.70 HRH3 (0.46) P2RX7HSP90AA1SLC6A2
SCHEMBL14273117 0.70 HSP90AA1 (0.33) P2RX7HSP90AA1SLC6A2
SCHEMBL11257271 0.70 — —
SCHEMBL22931659 0.69 HSP90AA1 (0.42) P2RX7HSP90AA1GRM1SLC6A2KMT2A
SCHEMBL1321225 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 — — US disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 — — US 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-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 P2RX7 95/4885HSP90AA1 1301/4885AOC3 1035/4885
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 P2RX7 95/4885HSP90AA1 1301/4885AOC3 1035/4885

“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.

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