SCHEMBL4978660

SCHEMBL4978660

CC(C)c1ccc(C(C)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM2B Q8NHM5 7/20 0.40
CHRM2 P08172 7/20 0.39
CHRM1 P11229 7/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL4979050 0.93 CHRM2 (0.45) HRH1HRH3KDM2BCHRM2CHRM1
SCHEMBL4980602 0.92 ALDH1A1 (0.42) HRH1HRH3CHRM2CHRM1ALDH1A1
SCHEMBL4976132 0.92 HRH3 (0.47) HRH1HRH3CHRM2CHRM1ALDH1A1
SCHEMBL4976871 0.91 HRH3 (0.40) HRH1HRH3CHRM2CHRM1ALDH1A1
SCHEMBL4978589 0.88 HRH1 (0.40) HRH1HRH3KDM2BCHRM2CHRM1
SCHEMBL4978961 0.87 HRH3 (0.39) HRH1HRH3CHRM2CHRM1ALDH1A1
SCHEMBL4978021 0.85 HRH1 (0.41) HRH1HRH3KDM2BCHRM2CHRM1
SCHEMBL4978072 0.85 HRH3 (0.43) HRH1HRH3KDM2BALDH1A1LMNA
SCHEMBL4978482 0.85 OGA (0.41)
SCHEMBL4978092 0.85 ALDH1A1 (0.42) HRH1HRH3KDM2BALDH1A1LMNA

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 HRH1 4/4885HRH3 1/4885KDM2B 1937/4885

“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.