SCHEMBL4980159

SCHEMBL4980159

CC(c1ccccc1Cl)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
HRH1 P35367 1/20 0.44
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HIF1A Q16665 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL4980652 0.90 CCR4 (0.42) HRH3HRH1CNR1CNR2ALDH1A1
SCHEMBL4976119 0.89 HRH3 (0.44) HRH3HRH1CNR1CNR2ALDH1A1
SCHEMBL4978707 0.88 HRH1 (0.43) HRH3HRH1ALDH1A1LMNAHIF1A
SCHEMBL4976132 0.86 HRH3 (0.47) HRH3HRH1CNR1CNR2ALDH1A1
SCHEMBL4976272 0.84 HRH1 (0.40) HRH3HRH1CNR1CNR2ALDH1A1
SCHEMBL4979610 0.84 HRH3 (0.52) HRH3HRH1ALDH1A1LMNAHIF1A
SCHEMBL4978660 0.84 HRH1 (0.42) HRH3HRH1ALDH1A1LMNAHIF1A
SCHEMBL4981926 0.83 SMN1; SMN2 (0.42) HRH3HRH1ALDH1A1LMNAHIF1A
SCHEMBL4979050 0.82 CHRM2 (0.45) HRH3HRH1ALDH1A1LMNAHIF1A
SCHEMBL4978092 0.81 ALDH1A1 (0.42) HRH3HRH1ALDH1A1LMNAHIF1A

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 4/4885CNR1 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.