SCHEMBL4081370

SCHEMBL4081370

O=C(c1ccccc1)N1CCc2ncnc(N3CCN(C4CCC4)CC3)c2CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL3 Q96JM7 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
KDM2B Q8NHM5 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 8/20 0.47
KIT P10721 1/20 0.46
HRH1 P35367 1/20 0.46
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4980177 0.93 KCNK3 (0.49) KDM4EALDH1A1POLBL3MBTL3L3MBTL1
SCHEMBL4978542 0.83 KDM4E (0.47) KDM4EALDH1A1L3MBTL3L3MBTL1KCNK3
SCHEMBL4978484 0.83 KDM2B (0.50) KDM4EALDH1A1L3MBTL3L3MBTL1KCNK3
SCHEMBL4976149 0.82 HPGD (0.46) KDM4EALDH1A1KCNK3KCNK9LMNA
SCHEMBL4976388 0.82 KDM2B (0.53) KDM4EALDH1A1L3MBTL3L3MBTL1KCNK3
SCHEMBL4976961 0.82 HTT (0.53) KDM4EALDH1A1L3MBTL1KDM2BHTT
SCHEMBL4976255 0.81 KCNK3 (0.44) ALDH1A1L3MBTL3L3MBTL1KCNK3KCNK9
SCHEMBL4978458 0.81 KDM2B (0.52) KDM4EALDH1A1POLBL3MBTL1KCNK3
SCHEMBL4974572 0.80 P2RX7 (0.43) ALDH1A1L3MBTL1KCNK3KCNK9HTT
SCHEMBL4976700 0.80 ALDH1A1 (0.55) KDM4EALDH1A1POLBL3MBTL1KCNK3

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 KDM4E 1865/4885ALDH1A1 1142/4885POLB 1658/4885

“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.