SCHEMBL4976871

SCHEMBL4976871

CC(c1ccc(N2CCCC2)cc1)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
HRH1 P35367 1/20 0.40
CHRM2 P08172 7/20 0.37
CHRM1 P11229 7/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR9 Q9NR96 1/20 0.35
L3MBTL3 Q96JM7 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53BP1 Q12888 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 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
SCHEMBL4978660 0.91 HRH1 (0.42) HRH3HRH1CHRM2CHRM1ALDH1A1
SCHEMBL4979050 0.90 CHRM2 (0.45) HRH3HRH1CHRM2CHRM1ALDH1A1
SCHEMBL4980602 0.89 ALDH1A1 (0.42) HRH3HRH1CHRM2CHRM1ALDH1A1
SCHEMBL4976132 0.89 HRH3 (0.47) HRH3HRH1CHRM2CHRM1ALDH1A1
SCHEMBL4978961 0.88 HRH3 (0.39) HRH3HRH1CHRM2CHRM1ALDH1A1
SCHEMBL4978589 0.86 HRH1 (0.40) HRH3HRH1CHRM2CHRM1ALDH1A1
SCHEMBL4980505 0.83 PIK3CA (0.36) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978021 0.83 HRH1 (0.41) HRH3HRH1CHRM2CHRM1ALDH1A1
SCHEMBL4975927 0.83 HRH3 (0.41) HRH3HRH1ALDH1A1LMNAHTT
SCHEMBL4978482 0.83 OGA (0.41)

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 4/4885CHRM2 313/4885

“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.