SCHEMBL4980449

SCHEMBL4980449

CC(C)c1ccc(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CFTR P13569 1/20 0.42
KDM2B Q8NHM5 6/20 0.39
HRH3 Q9Y5N1 4/20 0.38
HRH1 P35367 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PDE2A O00408 1/20 0.37
ACACB O00763 2/20 0.37
CXCR3 P49682 2/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4978137 0.93 MEN1 (0.43) MEN1KMT2ACFTRKDM2BHRH3
SCHEMBL4976294 0.89 MEN1 (0.54) MEN1KMT2AHRH3HRH1TLR7
SCHEMBL4976766 0.87 HRH3 (0.47) MEN1KMT2ACFTRHRH3HRH1
SCHEMBL4071423 0.87 HRH1 (0.46) MEN1KMT2ACFTRHRH3HRH1
SCHEMBL4980684 0.86 L3MBTL3 (0.47) MEN1KMT2AHRH3HRH1
SCHEMBL4981995 0.85 HRH1 (0.49) MEN1KMT2AHRH3HRH1TLR7
SCHEMBL4976444 0.85 MEN1 (0.43) MEN1KMT2AHRH3HRH1TLR7
SCHEMBL4978660 0.83 HRH1 (0.42) MEN1KMT2AKDM2BHRH3HRH1
SCHEMBL4976369 0.83 TLR7 (0.41) MEN1KMT2AHRH3HRH1TLR7
SCHEMBL4980599 0.83 ALDH1A1 (0.41) MEN1KMT2ACFTRHRH3CXCR3

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 1417/4885CFTR 4653/4885

“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.