SCHEMBL19145262

SCHEMBL19145262

Cc1cnc(C(=O)N2CCNCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.46
▸ OPRM1 P35372 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ HRH4 Q9H3N8 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PAK4 O96013 1/20 0.39
▸ CHRNB2 P17787 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
SCHEMBL19105545 0.82 SIGMAR1 (0.42) SIGMAR1OPRM1OPRL1HPGDRXFP1
Hydrochloric Acid SCHEMBL31571844 0.81 RXFP1 (0.47) SIGMAR1OPRM1OPRL1HPGDRXFP1
SCHEMBL19145872 0.81 POLB (0.45) OPRM1OPRL1HPGDMKNK1MKNK2
SCHEMBL18114678 0.80 SIGMAR1 (0.55) SIGMAR1HPGDRXFP1MKNK1MKNK2
SCHEMBL19145400 0.79 SMN1; SMN2 (0.50) HPGD
SCHEMBL12286062 0.79 TDP1 (0.60) SIGMAR1HPGDRXFP1MKNK1MKNK2
SCHEMBL2733860 0.75 ALDH1A1 (0.47) SIGMAR1HPGDRXFP1MKNK1MKNK2
SCHEMBL30863972 0.72 GRM5 (0.55) SIGMAR1HPGDMKNK1MKNK2GABRD
SCHEMBL1430481 0.72 GRM5 (0.55) SIGMAR1HPGDMKNK1MKNK2GABRD
SCHEMBL12017808 0.71 GABRD (0.71) SIGMAR1HPGDMKNK1MKNK2GABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 — — US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 — — US disclosed
US-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-02-04 — — US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 — — EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 — — EP disclosed
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 — — 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-20210032256-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 SIGMAR1 59/4885OPRM1 5/4885OPRL1 3/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 SIGMAR1 59/4885OPRM1 5/4885OPRL1 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.

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