Sugi Predict

Sugi Predict / Compounds / SCHEMBL4247475

SCHEMBL4247475

SCHEMBL4247475

CC(C)(C)OC(=O)N1CCc2cc(N3CCN(C4CCCC4)CC3)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 10/20 0.61
▸ SIGMAR1 Q99720 10/20 0.61
▸ HRH3 Q9Y5N1 3/20 0.61
▸ HTR1A P08908 2/20 0.61
▸ HRH2 P25021 2/20 0.61
▸ HRH1 P35367 2/20 0.61
▸ CHRM4 P08173 1/20 0.61
▸ CHRM5 P08912 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ ADRA2B P18089 1/20 0.61
▸ ADRA1D P25100 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ ADRA1A P35348 1/20 0.61
▸ ADRA1B P35368 1/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ HTR2B P41595 1/20 0.61
▸ HTR5A P47898 1/20 0.61
▸ ESR2 Q92731 1/20 0.58
▸ ADRA2C P18825 1/20 0.56

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
SCHEMBL30593262 0.86 ESR2 (0.67) TMEM97SIGMAR1ESR2NR1H2NAMPT
SCHEMBL25407569 0.86 ESR2 (0.67) TMEM97SIGMAR1ESR2NR1H2NAMPT
SCHEMBL31670515 0.85 ESR2 (0.63) TMEM97SIGMAR1ESR2NR1H2NAMPT
SCHEMBL30785602 0.85 ESR2 (0.63) TMEM97SIGMAR1ESR2NR1H2NAMPT
SCHEMBL4520156 0.84 ESR2 (0.57) TMEM97SIGMAR1HRH3HTR1AHRH2
SCHEMBL4514816 0.84 ESR2 (0.56) ESR2NR1H2NAMPTALDH1A1
SCHEMBL29676853 0.82 ESR2 (0.62) TMEM97SIGMAR1HRH3ESR2NR1H2
SCHEMBL18794493 0.82 ESR2 (0.62) TMEM97SIGMAR1HRH3ESR2NR1H2
SCHEMBL15000510 0.81 ESR2 (0.65) TMEM97SIGMAR1HRH1ADRA2AADRA2B
SCHEMBL4433008 0.79 ESR2 (0.53) ESR2NR1H2NAMPTALDH1A1NPC1

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
EP-2029588-A4 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-08-05 — — EP disclosed
EP-2029588-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES Neurogen Corporation (US) 2009-03-04 — — EP disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 — — US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 — — US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 — — US disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 — — 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 (1 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 TMEM97 620/4885SIGMAR1 559/4885HRH3 1/4885

“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.