SCHEMBL19111008

SCHEMBL19111008

CC(C)CCC(=O)N1CCCC1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.48
▸ HTR1A P08908 2/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ ACE P12821 4/20 0.46
▸ REN P00797 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
SCHEMBL26223783 1.00 DPP4 (0.48) DPP4HTR1AHTR7ACEREN
SCHEMBL26724818 0.86 ACE (0.47) ACEREN
SCHEMBL17378268 0.86 ACE (0.47) ACEREN
SCHEMBL871820 0.86 ACE (0.61) ACEREN
SCHEMBL12863842 0.84 SMN1; SMN2 (0.47) DPP4HTR1AHTR7ACEREN
SCHEMBL14463150 0.82 DPP4 (0.51) DPP4HTR1AHTR7ACE
SCHEMBL10884099 0.80 DPP4 (0.54) DPP4HTR1AHTR7ACE
SCHEMBL13954202 0.80 DPP4 (0.51) DPP4HTR1AHTR7ACE
SCHEMBL29540069 0.79 DPP4 (0.53) DPP4HTR1AHTR7ACE
SCHEMBL683068 0.79 DPP4 (0.50) DPP4HTR1AHTR7ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214315-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-07-15 — — US disclosed
US-20200399226-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 — — US disclosed
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUNENTHAL GMBH (DE) 2020-10-22 — — US disclosed
US-10793528-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-06 — — US disclosed
EP-3402783-B1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 — — EP disclosed
US-20190100497-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-04 — — US disclosed
US-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 — — US disclosed
WO-2017121646-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 — — WO disclosed
US-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 — — US disclosed
US-20170197919-A1 3-(Carboxyethyl)-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 (7 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-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 DPP4 1117/4885HTR1A 57/4885HTR7 506/4885
US-20210214315-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 DPP4 226/4885HTR1A 136/4885HTR7 320/4885
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 DPP4 1117/4885HTR1A 57/4885HTR7 506/4885
US-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD1 DPP4 37/4885HTR1A 204/4885HTR7 443/4885
US-20200399226-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 DPP4 226/4885HTR1A 136/4885HTR7 320/4885
US-20190100497-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 DPP4 116/4885HTR1A 283/4885HTR7 609/4885
US-10793528-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 DPP4 226/4885HTR1A 136/4885HTR7 320/4885

“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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