SCHEMBL4976294

SCHEMBL4976294

Cc1ccc(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HRH1 P35367 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NR2F2 P24468 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
CNR1 P21554 1/20 0.37
TP53 P04637 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
SCHEMBL4981943 0.93 MEN1 (0.55) MEN1KMT2ALMNAPOLBACHE
SCHEMBL4976766 0.90 HRH3 (0.47) MEN1KMT2ALMNAACHEBACE1
SCHEMBL4071423 0.90 HRH1 (0.46) MEN1KMT2ALMNAHRH3HRH1
SCHEMBL4980449 0.89 MEN1 (0.43) MEN1KMT2AHRH3HRH1TLR7
SCHEMBL4976444 0.89 MEN1 (0.43) MEN1KMT2ALMNAPOLBHRH3
SCHEMBL4980684 0.89 L3MBTL3 (0.47) MEN1KMT2AHRH3HRH1MAPT
SCHEMBL4978510 0.88 MEN1 (0.46) MEN1KMT2AHRH3HRH1ALDH1A1
SCHEMBL4981995 0.88 HRH1 (0.49) MEN1KMT2ALMNAACHEHRH3
SCHEMBL4980599 0.85 ALDH1A1 (0.41) MEN1KMT2AHRH3ALDH1A1
SCHEMBL4976864 0.85 CXCR3 (0.51) MEN1KMT2AHRH3TLR7

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 MEN1 4419/4885KMT2A 1417/4885LMNA 4534/4885

“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.