SCHEMBL4978018

SCHEMBL4978018

COc1cccc(OCC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
HSP90AB1 P08238 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 5/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
KDM2B Q8NHM5 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ORAI1 Q96D31 1/20 0.44
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL14346533 0.92 KDM4E (0.46) GAAHSP90AB1CYP2D6CYP2C19NPSR1
SCHEMBL4978179 0.92 NPSR1 (0.58) GAACYP2D6CYP2C19NPSR1KDM4E
SCHEMBL4976307 0.91 ACHE (0.51) HSP90AB1KDM4EPOLBTDP1KDM2B
SCHEMBL4975188 0.90 FKBP1A (0.47) HSP90AB1CYP2D6CYP2C19NPSR1KDM4E
SCHEMBL4973559 0.90 KDM4E (0.59) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL4976981 0.89 MAPT (0.51) HSP90AB1CYP2D6CYP2C19KDM4EPOLB
SCHEMBL4979123 0.88 SMN1; SMN2 (0.54) GAAHSP90AB1CYP2D6CYP2C19NPSR1
SCHEMBL4976502 0.86 KDM4E (0.50) GAAHSP90AB1KDM4EPOLBTDP1
SCHEMBL4976742 0.86 KDM2B (0.57) HSP90AB1KDM4EMAPTKDM2BALDH1A1
SCHEMBL4980557 0.86 KDM4E (0.49) HSP90AB1CYP2D6CYP2C19NPSR1KDM4E

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 GAA 2670/4885HSP90AB1 2652/4885CYP2D6 931/4885

“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.