SCHEMBL4976751

SCHEMBL4976751

O=C(c1ccnc2ccccc12)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.46
HSP90AB1 P08238 6/20 0.45
CHRM2 P08172 2/20 0.44
CYP2C9 P11712 3/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HIF1A Q16665 1/20 0.42
PTPN11 Q06124 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL4976323 0.88 ALDH1A1 (0.56) HSP90AB1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL4975409 0.86 CYP2C9 (0.56) CYP2C9KDM4EALDH1A1PKM
SCHEMBL4976947 0.84 MEN1 (0.53) HSP90AB1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL4976243 0.84 KDM2B (0.54) HSP90AB1HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4976933 0.84 PTPN11 (0.48) HSP90AB1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL4980285 0.84 GBA1 (0.55) HSP90AB1CYP2C9HCRTR1HCRTR2ALDH1A1
SCHEMBL4976359 0.83 HSP90AB1 (0.52) HSP90AB1KDM4EALDH1A1PTPN11L3MBTL3
SCHEMBL4980718 0.83 HCRTR1 (0.47) HSP90AB1HCRTR1HCRTR2KDM4EPTPN11
SCHEMBL4978732 0.83 HSP90AB1 (0.51) HSP90AB1HCRTR1HCRTR2PTPN11HSP90AA1
SCHEMBL4978051 0.83 SLC6A7 (0.53) HSP90AB1HCRTR1HCRTR2MEN1KMT2A

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 CCR3 440/4885HSP90AB1 2652/4885CHRM2 313/4885

“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.