SCHEMBL9953900

SCHEMBL9953900

Cn1cnc(CCC(N)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MTOR P42345 1/20 0.59
▸ HRH4 Q9H3N8 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.58
▸ NAMPT P43490 2/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ OPRM1 P35372 1/20 0.34
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ CPB2 Q96IY4 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ TRHR P34981 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ FPR2 P25090 1/20 0.31

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
Hydrochloric Acid SCHEMBL7422764 0.98 TDP1 (0.61) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13563913 0.84 TSHR (0.56) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2629331 0.84 CYP2C9 (0.56) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL1310275 0.82 TDP1 (0.58) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2176873 0.81 CYP2C9 (0.53) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL3206853 0.81 CYP2C9 (0.54) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27781536 0.80 CPB2 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL3929706 0.79 TSHR (0.51) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL31483078 0.78 CYP2C9 (0.54) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27803109 0.78 CYP2C9 (0.35) CYP2C9TSHRCYP2C19MTORHRH4

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-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 — — US disclosed
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 — — US disclosed
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 — — US disclosed
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 — — US disclosed
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-11 — — US disclosed
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-10-04 — — US disclosed
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 — — EP disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 — — WO disclosed
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 — — CN disclosed
EP-1761515-B1 2-(HETERO-)ARYL SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-11-05 — — EP 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 (6 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-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 CYP2C9 1378/4885TSHR 3065/4885CYP2C19 1439/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP2C9 1378/4885TSHR 3065/4885CYP2C19 1439/4885
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 CYP2C9 1378/4885TSHR 3065/4885CYP2C19 1439/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 CYP2C9 1378/4885TSHR 3065/4885CYP2C19 1439/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP2C9 1378/4885TSHR 3065/4885CYP2C19 1439/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP2C9 1378/4885TSHR 3065/4885CYP2C19 1439/4885

“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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