SCHEMBL4978128

SCHEMBL4978128

O=C(Cc1ccccc1Br)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.46
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PTPN11 Q06124 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
HSP90AB1 P08238 3/20 0.39
CCR3 P51677 1/20 0.39
ACHE P22303 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL4973587 0.91 LMNA (0.48) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL4980033 0.89 MAPT (0.48) DGAT1KDM4EALDH1A1PTPN11MAPT
SCHEMBL4974618 0.89 HSP90AB1 (0.43) KDM4EALDH1A1PTPN11MAPTTP53
SCHEMBL4978643 0.89 ACHE (0.49) KDM4EALDH1A1PTPN11MAPTLMNA
SCHEMBL4973690 0.88 HSP90AB1 (0.43) DGAT1HSP90AB1CCR3
SCHEMBL4974974 0.88 KDM4E (0.42) DGAT1KDM4EALDH1A1PTPN11MAPT
SCHEMBL4976061 0.87 KDM4E (0.57) KDM4EALDH1A1PTPN11MAPTHSP90AB1
SCHEMBL4978910 0.87 PTPN11 (0.43) DGAT1KDM4EALDH1A1PTPN11MAPT
SCHEMBL4977153 0.87 RBP4 (0.48) KDM4EALDH1A1PTPN11MAPTHSP90AB1
SCHEMBL4976253 0.87 KDM4E (0.48) KDM4EALDH1A1MAPTLMNAHSP90AB1

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 DGAT1 4718/4885KDM4E 1865/4885ALDH1A1 1142/4885

“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.