SCHEMBL4978482

SCHEMBL4978482

CC(c1ccc2c(c1)OCCO2)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OGA O60502 18/20 0.41
RPS6KB1 P23443 1/20 0.40
OPRM1 P35372 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
SCHEMBL4978589 0.85 HRH1 (0.40)
SCHEMBL4978660 0.85 HRH1 (0.42)
SCHEMBL4979050 0.84 CHRM2 (0.45)
SCHEMBL4980602 0.83 ALDH1A1 (0.42) RPS6KB1
SCHEMBL4976132 0.83 HRH3 (0.47)
SCHEMBL4978021 0.83 HRH1 (0.41)
SCHEMBL4976871 0.83 HRH3 (0.40)
SCHEMBL4978092 0.82 ALDH1A1 (0.42) RPS6KB1
SCHEMBL4980505 0.81 PIK3CA (0.36) OGA
SCHEMBL4978961 0.80 HRH3 (0.39) OGA

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 OGA 4774/4885RPS6KB1 1771/4885OPRM1 352/4885

“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.