SCHEMBL4976576

SCHEMBL4976576

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR183 P32249 4/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
CCR2 P41597 8/20 0.40
HSP90AB1 P08238 2/20 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
SCHEMBL4976585 1.00 NPC1 (0.45) NPC1RAB9ATDP1GPR183MAPT
SCHEMBL4974630 0.91 MAPT (0.52) NPC1RAB9AGPR183MAPTSMN1; SMN2
SCHEMBL4974626 0.91 MAPT (0.52) NPC1RAB9AGPR183MAPTSMN1; SMN2
SCHEMBL4976605 0.89 ALDH1A1 (0.44) MAPTGAAHSP90AB1
SCHEMBL4976589 0.89 ALDH1A1 (0.44) MAPTGAAHSP90AB1
SCHEMBL14346864 0.88 HSP90AB1 (0.42) NPC1RAB9AGPR183MAPTGAA
SCHEMBL4980006 0.87 MAPT (0.46) NPC1RAB9AGPR183MAPTSMN1; SMN2
SCHEMBL4976529 0.87 HSP90AB1 (0.47) NPC1RAB9AGPR183MAPTGAA
SCHEMBL4976525 0.87 HSP90AB1 (0.47) NPC1RAB9AGPR183MAPTGAA
SCHEMBL4980014 0.87 MAPT (0.46) NPC1RAB9AGPR183MAPTSMN1; SMN2

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 2 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

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 NPC1 4289/4885RAB9A 2216/4885TDP1 899/4885

“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.