SCHEMBL4979012

SCHEMBL4979012

O=C(C1COc2ccccc2O1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.51
GAA P10253 2/20 0.48
MAPK1 P28482 3/20 0.47
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
MMP1 P03956 1/20 0.46
ADRB2 P07550 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRB3 P13945 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL4980081 0.82 TSHR (0.47) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL4981376 0.81 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2GAAMAPK1
SCHEMBL4976398 0.80 HCRTR1 (0.45) MAPT
SCHEMBL4978212 0.80 MAPT (0.43) ALDH1A1MAPT
SCHEMBL4976359 0.80 HSP90AB1 (0.52) ALDH1A1POLBL3MBTL1
SCHEMBL4977945 0.79 HCRTR1 (0.47) ALDH1A1KMT2AMAPT
SCHEMBL4974941 0.78 HCRTR1 (0.48) KMT2AMAPTHTTL3MBTL1
SCHEMBL4980266 0.78 HCRTR1 (0.48) KMT2AMAPTHTTL3MBTL1
SCHEMBL4976921 0.78 HSP90AA1 (0.40) KCNH2MAPT
SCHEMBL4980223 0.77 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10

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 ALDH1A1 1142/4885HPGD 159/4885SMN1; SMN2 3880/4885

“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.