SCHEMBL4981995

SCHEMBL4981995

c1ccc(CN2CCc3c(ncnc3N3CCN(C4CCCC4)CC3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ABCC1 P33527 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HIF1A Q16665 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRS3 P32247 4/20 0.41
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LIMK1 P53667 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
TRPV6 Q9H1D0 2/20 0.40
TSHR P16473 1/20 0.40

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 0.98 HRH1 (0.46) HRH1HRH3ABCC1ABCG2MEN1
SCHEMBL4976912 0.92 HRH1 (0.49) HRH1HRH3ABCC1ABCG2MEN1
SCHEMBL14273295 0.91 HRH3 (0.46) HRH3ABCC1ABCG2ALDH1A1HIF1A
SCHEMBL4973617 0.91 HRH3 (0.46) HRH3ABCC1ABCG2ALDH1A1HIF1A
SCHEMBL4083239 0.90 HRH1 (0.47) HRH1HRH3ABCC1ABCG2MEN1
SCHEMBL4976766 0.88 HRH3 (0.47) HRH1HRH3MEN1KMT2AALDH1A1
SCHEMBL4976294 0.88 MEN1 (0.54) HRH1HRH3MEN1KMT2AALDH1A1
SCHEMBL4978114 0.87 TRPV6 (0.52) HRH1HRH3MEN1KMT2ATRPV6
SCHEMBL4980684 0.87 L3MBTL3 (0.47) HRH1HRH3MEN1KMT2AMAPT
SCHEMBL4979965 0.86 ALDH1A1 (0.43) HRH1HRH3MEN1KMT2AALDH1A1

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 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.