SCHEMBL4980652

SCHEMBL4980652

CC(c1ccc(Cl)cc1Cl)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.42
HRH4 Q9H3N8 3/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HRH1 P35367 1/20 0.39
P2RX3 P56373 1/20 0.38
RPS6KB1 P23443 2/20 0.37
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4980159 0.90 HRH3 (0.44) HRH4CNR1CNR2HRH3HRH1
SCHEMBL4978660 0.84 HRH1 (0.42) HRH3HRH1MEN1KMT2AALDH1A1
SCHEMBL4976119 0.82 HRH3 (0.44) CNR1CNR2HRH3HRH1P2RX3
SCHEMBL4973623 0.82 TLR7 (0.41) HRH4HRH3HRH1ALDH1A1HTT
SCHEMBL4976132 0.82 HRH3 (0.47) CNR1CNR2HRH3HRH1MEN1
SCHEMBL4978707 0.81 HRH1 (0.43) HRH3HRH1P2RX3MEN1KMT2A
SCHEMBL4979050 0.81 CHRM2 (0.45) HRH3HRH1P2RX3MEN1KMT2A
SCHEMBL4980341 0.80 TLR7 (0.41) HRH3HRH1MEN1KMT2AALDH1A1
SCHEMBL4978589 0.80 HRH1 (0.40) HRH4HRH3HRH1MEN1KMT2A
SCHEMBL4980602 0.80 ALDH1A1 (0.42) HRH3HRH1RPS6KB1MEN1KMT2A

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 1 patent. 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

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 CCR4 778/4885HRH4 2/4885CNR1 65/4885

“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.