SCHEMBL4975411

SCHEMBL4975411

Cc1cccc(OCC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NOTUM Q6P988 1/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL4979744 0.93 MEN1 (0.50) MEN1KMT2ANOTUMPOLBKDM4E
SCHEMBL4976502 0.88 KDM4E (0.50) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL4976714 0.87 KDM4E (0.51) POLBKDM4ETDP1SMN1; SMN2MAPT
SCHEMBL4976178 0.87 MEN1 (0.50) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL4980666 0.87 SMN1; SMN2 (0.51) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL4979902 0.86 KDM4E (0.54) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL4978182 0.85 LMNA (0.46) MEN1KMT2ATDP1MAPTLMNA
SCHEMBL4980423 0.85 LMNA (0.56) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL4978179 0.85 NPSR1 (0.58) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL14346933 0.85 KDM4E (0.42) POLBKDM4ETDP1SMN1; SMN2MAPT

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 3 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

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 1417/4885NOTUM 4156/4885

“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.