SCHEMBL4976119

SCHEMBL4976119

CC(c1ccccc1F)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
HRH1 P35367 1/20 0.44
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX3 P56373 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
KRAS P01116 1/20 0.33
TLR9 Q9NR96 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4976272 0.92 HRH1 (0.40) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4980159 0.89 HRH3 (0.44) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978707 0.88 HRH1 (0.43) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4976132 0.86 HRH3 (0.47) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4980602 0.85 ALDH1A1 (0.42) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4979610 0.84 HRH3 (0.52) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978092 0.83 ALDH1A1 (0.42) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4981926 0.83 SMN1; SMN2 (0.42) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978660 0.82 HRH1 (0.42) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4980652 0.82 CCR4 (0.42) HRH3HRH1ALDH1A1LMNAHTT

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 HRH3 1/4885HRH1 4/4885ALDH1A1 1142/4885

“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.