SCHEMBL4980602

SCHEMBL4980602

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
HRH1 P35367 1/20 0.41
TSHR P16473 1/20 0.39
AKT1S1 Q96B36 2/20 0.39
RPS6KB1 P23443 3/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
CHRM2 P08172 6/20 0.36
CHRM1 P11229 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MC4R P32245 1/20 0.35
MAPT P10636 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 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
SCHEMBL4978660 0.92 HRH1 (0.42) ALDH1A1LMNAKDM4EGLANPSR1
SCHEMBL4979050 0.91 CHRM2 (0.45) ALDH1A1LMNAKDM4EGLANPSR1
SCHEMBL4976132 0.90 HRH3 (0.47) ALDH1A1LMNAKDM4EGLANPSR1
SCHEMBL4976871 0.89 HRH3 (0.40) ALDH1A1LMNAKDM4EGLANPSR1
SCHEMBL4978092 0.89 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EGLANPSR1
SCHEMBL4978589 0.87 HRH1 (0.40) ALDH1A1LMNAKDM4EGLANPSR1
SCHEMBL4978961 0.85 HRH3 (0.39) ALDH1A1LMNAHRH3HRH1HTT
SCHEMBL4976119 0.85 HRH3 (0.44) ALDH1A1LMNAKDM4EGLANPSR1
SCHEMBL4978021 0.84 HRH1 (0.41) ALDH1A1LMNAKDM4EGLANPSR1
SCHEMBL4978482 0.83 OGA (0.41) RPS6KB1

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 ALDH1A1 1142/4885LMNA 4534/4885KDM4E 1865/4885

“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.