SCHEMBL4976452

SCHEMBL4976452

CC(Oc1ccccc1)C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HSP90AA1 P07900 4/20 0.40
HSP90AB1 P08238 4/20 0.40
HRH3 Q9Y5N1 1/20 0.39
OGA O60502 1/20 0.38

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
SCHEMBL4975230 0.91 HSP90AB1 (0.45) HPGDMAPTALOX15HSD17B10KDM4E
SCHEMBL4978678 0.91 HRH3 (0.44) MAPTHSP90AA1HSP90AB1HRH3OGA
SCHEMBL4980657 0.89 MAPT (0.39) HPGDMAPTALOX15HSD17B10KDM4E
SCHEMBL4976501 0.89 MEN1 (0.45) PTPN11HPGDMAPTKMT2AHCRTR1
SCHEMBL4974605 0.88 ALDH1A1 (0.46) PTPN11HPGDMAPTALDH1A1KMT2A
SCHEMBL4978182 0.86 LMNA (0.46) MAPTALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL4978771 0.85 HSP90AA1 (0.46) PTPN11MAPTHCRTR1HCRTR2HSP90AA1
SCHEMBL4979714 0.85 PTPN11 (0.42) PTPN11MAPTALDH1A1KMT2AHCRTR1
SCHEMBL4980323 0.84 PTPN11 (0.45) PTPN11MAPTKDM4EALDH1A1HCRTR1
SCHEMBL4980624 0.83 ALDH1A1 (0.49) HPGDMAPTALDH1A1KMT2AHSP90AA1

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 PTPN11 4015/4885HPGD 159/4885MAPT 2301/4885

“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.