SCHEMBL1017552

SCHEMBL1017552

CC(C)(C)OC(=O)N1CCc2ncnc(O)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
ESR2 Q92731 1/20 0.43
GPR119 Q8TDV5 5/20 0.42
MAP4K4 O95819 1/20 0.41
MKNK1 Q9BUB5 3/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA1 P30542 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL1329919 0.91 ESR2 (0.48) MAPTESR2MKNK1ADORA1NR1H2
SCHEMBL9951760 0.91 ESR2 (0.48) MAPTESR2MKNK1ADORA1NR1H2
SCHEMBL31548527 0.91 ESR2 (0.48) MAPTESR2MKNK1ADORA1NR1H2
SCHEMBL1013846 0.85 POLB (0.48) POLBMAPTESR2GPR119MAP4K4
SCHEMBL22715947 0.83 ESR2 (0.43) MAPTESR2GPR119MAP4K4MKNK1
SCHEMBL12333398 0.80 MAPT (0.47) MAPTESR2GPR119MKNK1ADORA1
SCHEMBL1330087 0.79 ESR2 (0.47) POLBMAPTESR2MKNK1ADORA1
SCHEMBL3824436 0.78 P2RX7 (0.35)
SCHEMBL21003227 0.77 ADORA1 (0.43) MAPTESR2MKNK1ADORA1NR1H2
SCHEMBL12305710 0.77 MAPT (0.45) MAPTESR2MAP4K4MKNK1ADORA1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568954-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE (CDK) 12 AND/OR CDK13 AND USES THEREOF Insilico Medicine IP Limited (HK) 2025-06-18 EP disclosed
WO-2024032561-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE (CDK) 12 AND/OR CDK13 AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-02-15 WO disclosed
US-9738649-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-22 US disclosed
US-9738649-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-22 US disclosed
US-9738649-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-22 US disclosed
US-20160318942-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 US disclosed
US-20160318942-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 US disclosed
US-20160318942-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 US disclosed
US-9422293-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-9422293-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
EP-2024368-A2 6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPIN-4-YL]-AMINE DERIVATIVES AS MODULATORS OF TRPV1 FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2009-02-18 EP disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 US disclosed
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 US disclosed
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 US disclosed
WO-2007109355-A2 6,7,8, 9 -TETRAHYDRO- 5H- PYRIMIDO [4, 5-D] AZEPIN-4-YL] -AMINE DERIVATIVES AS MODULATORS OF TRPVL FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 WO disclosed
WO-2007109355-A2 6,7,8, 9 -TETRAHYDRO- 5H- PYRIMIDO [4, 5-D] AZEPIN-4-YL] -AMINE DERIVATIVES AS MODULATORS OF TRPVL FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 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 (3 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-20160318942-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV2 POLB 4691/4885MAPT 873/4885ESR2 2033/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 POLB 3403/4885MAPT 979/4885ESR2 1905/4885
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 TRPV1, TRPA1, TRPV2 POLB 4710/4885MAPT 972/4885ESR2 2194/4885

“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.