SCHEMBL4978694

SCHEMBL4978694

Cc1ccccc1C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.52
GBA1 P04062 5/20 0.48
P2RX7 Q99572 8/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL4976500 0.90 P2RX7 (0.42) KDM2BGBA1P2RX7LMNASMN1; SMN2
SCHEMBL4976331 0.89 P2RX7 (0.47) KDM2BP2RX7ALDH1A1HRH1HRH3
SCHEMBL4976392 0.89 MEN1 (0.49) P2RX7ALDH1A1HTTLMNAHRH1
SCHEMBL4977982 0.88 KDM4E (0.53) P2RX7ALDH1A1HTTCYP2C9CYP2C19
SCHEMBL4980177 0.86 KCNK3 (0.49) KDM2BP2RX7ALDH1A1HTTLMNA
SCHEMBL4978484 0.85 KDM2B (0.50) KDM2BP2RX7ALDH1A1HRH1HRH3
SCHEMBL4974572 0.84 P2RX7 (0.43) P2RX7ALDH1A1HTTSMN1; SMN2HRH1
SCHEMBL4976388 0.83 KDM2B (0.53) KDM2BP2RX7ALDH1A1HTTHPGD
SCHEMBL4978912 0.81 KDM4E (0.55) ALDH1A1HTTHPGDLMNASMN1; SMN2
SCHEMBL4978542 0.81 KDM4E (0.47) ALDH1A1LMNAHRH1HRH3

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 KDM2B 1937/4885GBA1 3687/4885P2RX7 38/4885

“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.