SCHEMBL4979654

SCHEMBL4979654

O=C(Cc1ccc(Br)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.43
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HSP90AB1 P08238 2/20 0.38
CCR3 P51677 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PANK3 Q9H999 1/20 0.38

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
SCHEMBL4978406 0.91 POLB (0.47) MAPTALDH1A1KDM4ESMN1; SMN2HSP90AB1
SCHEMBL4977925 0.91 HSP90AB1 (0.48) MAPTALDH1A1KDM4ESMN1; SMN2ALOX12
SCHEMBL4980689 0.91 HSP90AB1 (0.48) MAPTTP53ALDH1A1KDM4EHRH3
SCHEMBL4976061 0.91 KDM4E (0.57) MAPTALDH1A1KDM4EHRH3HSP90AB1
SCHEMBL4973578 0.89 KDM4E (0.44) MAPTTP53ALDH1A1KDM4EHRH3
SCHEMBL4978329 0.89 KDM4E (0.51) MAPTALDH1A1KDM4EHRH3HSP90AB1
SCHEMBL4979742 0.88 ALDH1A1 (0.48) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4978731 0.88 KDM4E (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL4976114 0.88 PANK3 (0.53) ALDH1A1KDM4EHSP90AB1MEN1KMT2A
SCHEMBL4974912 0.88 ME2 (0.44) ALDH1A1KDM4EHRH3FNTAFNTB

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 MAPT 2301/4885TP53 1765/4885ALDH1A1 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.