SCHEMBL4976233

SCHEMBL4976233

c1ccc2nc(CN3CCc4ncnc(N5CCN(C6CCC6)CC5)c4CC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
HRH1 P35367 1/20 0.47
PDE2A O00408 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
FAAH O00519 1/20 0.37
DRD4 P21917 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL4973591 0.94 HRH3 (0.46) HRH3HRH1PDE2AHTR1AHTR7
SCHEMBL14346674 0.84 HRH3 (0.40) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4982005 0.84 HRH1 (0.40) HRH3HRH1PDE2AALDH1A1LMNA
SCHEMBL4980623 0.83 HRH3 (0.45) HRH3HRH1FAAH
SCHEMBL4083239 0.83 HRH1 (0.47) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4980306 0.81 HRH1 (0.54) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4976029 0.80 HRH1 (0.44) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4975288 0.80 HRH3 (0.44) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4980688 0.79 HRH3 (0.46) HRH3LMNA
SCHEMBL4976167 0.77 KMT2A (0.46) HRH3HRH1ALDH1A1

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 HRH3 1/4885HRH1 4/4885PDE2A 2287/4885

“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.