SCHEMBL4979165

SCHEMBL4979165

CNC(=O)c1ccc(N2CCN(c3ncc4c(n3)CCN(CC3CCOCC3)CC4)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
SCN9A Q15858 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
USP30 Q70CQ3 1/20 0.39
PARP1 P09874 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRMT5 O14744 2/20 0.38
RET P07949 2/20 0.37
ADRA1A P35348 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL4978957 0.81 HRH3 (0.54) SCN9AHRH3PARP1ADRA1A
SCHEMBL4976874 0.80 HRH3 (0.51) SCN9AHRH3PARP1
SCHEMBL4974863 0.78 LMNA (0.52)
SCHEMBL24592171 0.77 HRH3 (0.48) HPGDSHRH3ALDH1A1HPGDNPC1
SCHEMBL4977104 0.74 HSP90AB1 (0.41)
SCHEMBL4979945 0.74 HRH3 (0.49) SCN9AHRH3PARP1
SCHEMBL7679197 0.72 ALDH1A1 (0.66) HPGDSHRH3ALDH1A1HPGDNPC1
SCHEMBL4976880 0.70 HRH3 (0.56) HRH3SMN1; SMN2ADRA1A
SCHEMBL14273437 0.70 HSP90AB1 (0.37)
SCHEMBL4980620 0.70 HSP90AB1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGDS 105/4885DRD2 261/4885HTR2A 129/4885

“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.