SCHEMBL4081369

SCHEMBL4081369

Clc1nc(N2CCN(C3CCC3)CC2)nc2c1CCN(Cc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
CASP5 P51878 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.43
TRPV6 Q9H1D0 3/20 0.42
ACHE P22303 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
C5AR1 P21730 1/20 0.40

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
SCHEMBL11399972 0.82 LMNA (0.57) CASP1CASP5ALDH1A1LMNAHTT
SCHEMBL11280922 0.82 LMNA (0.60) CASP1CASP5ALDH1A1LMNAHTT
SCHEMBL4978720 0.81 LMNA (0.53) LMNAHTTTRPV6ACHEMAPT
SCHEMBL4981551 0.78 HSP90AB1 (0.61) LMNAMAPT
SCHEMBL4083239 0.77 HRH1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL1831603 0.75 C5AR1 (0.61) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL1623121 0.74 KMT2A (0.49) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL4071423 0.72 HRH1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL13943667 0.72 SIGMAR1 (0.64) ALDH1A1SMN1; SMN2RECQLTRPV6ACHE
SCHEMBL4979044 0.71 MAPT (0.64) ALDH1A1LMNAKDM4EMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029588-A4 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-08-05 EP disclosed
EP-2029588-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES Neurogen Corporation (US) 2009-03-04 EP 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
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 CASP1 4348/4885CASP5 4233/4885ALDH1A1 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.