SCHEMBL4083239

SCHEMBL4083239

c1ccc(CN2CCc3ncnc(N4CCN(C5CCC5)CC4)c3CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ABCC1 P33527 6/20 0.45
ABCG2 Q9UNQ0 3/20 0.45
RECQL P46063 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TRPV6 Q9H1D0 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCB1 P08183 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL4071423 0.93 HRH1 (0.46) HRH1HRH3ABCC1ABCG2RECQL
SCHEMBL4976912 0.90 HRH1 (0.49) HRH1HRH3ABCC1ABCG2RECQL
SCHEMBL4981995 0.90 HRH1 (0.49) HRH1HRH3ABCC1ABCG2RECQL
SCHEMBL4981943 0.89 MEN1 (0.55) HRH1HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL4974790 0.89 HRH3 (0.48) HRH1HRH3MEN1KMT2AALDH1A1
SCHEMBL4977783 0.89 TRPV6 (0.53) HRH1HRH3TRPV6MEN1KMT2A
SCHEMBL4978459 0.89 L3MBTL3 (0.51) HRH1HRH3MEN1KMT2AMAPT
SCHEMBL4977043 0.88 MEN1 (0.46) HRH1HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL4974966 0.88 KMT2A (0.46) HRH1HRH3SMN1; SMN2TRPV6MEN1
SCHEMBL4975288 0.88 HRH3 (0.44) HRH1HRH3ABCG2SMN1; SMN2ALDH1A1

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 HRH1 4/4885HRH3 1/4885ABCC1 2111/4885

“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.