SCHEMBL4249960

SCHEMBL4249960

c1cc2c(cc1N1CCN(C3CCCC3)CC1)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.53
HRH3 Q9Y5N1 5/20 0.48
HTR6 P50406 2/20 0.46
DRD3 P35462 4/20 0.44
DRD2 P14416 2/20 0.44
TMEM97 Q5BJF2 5/20 0.43
SIGMAR1 Q99720 5/20 0.43
HTR1A P08908 2/20 0.43
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2B P41595 1/20 0.43

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 SCHEMBL4251263 0.99 ASIC3 (0.52) ASIC3HRH3HTR6DRD3DRD2
SCHEMBL25406974 0.81 ASIC3 (0.58) ASIC3HRH3DRD3DRD2ADRA2A
SCHEMBL5457291 0.81 HRH3 (0.55) HRH3HTR6DRD3DRD2TMEM97
SCHEMBL21800281 0.80 ASIC3 (0.78) ASIC3HRH3DRD3DRD2ADRA2C
Hydrochloric Acid SCHEMBL30785599 0.79 ASIC3 (0.53) ASIC3HTR6DRD3DRD2ADRA2A
SCHEMBL5458719 0.78 HRH3 (0.59) HRH3HTR6DRD3DRD2TMEM97
SCHEMBL4505128 0.76 L3MBTL1 (0.55) HRH3L3MBTL3L3MBTL1
SCHEMBL1011359 0.76 ASIC3 (0.59) ASIC3HRH3HTR6DRD3DRD2
SCHEMBL31083767 0.76 ASIC3 (0.59) ASIC3HRH3HTR6DRD3DRD2
SCHEMBL4520601 0.75 L3MBTL1 (0.54) HRH3L3MBTL3L3MBTL1

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 7 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
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 ASIC3 2091/4885HRH3 1/4885HTR6 113/4885

“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.