SCHEMBL4978688

SCHEMBL4978688

O=C(c1c(F)cccc1C(F)(F)F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
TRPV1 Q8NER1 3/20 0.41
TRPA1 O75762 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
JAK2 O60674 1/20 0.39
MAPT P10636 1/20 0.38
PTPN11 Q06124 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL4978522 0.92 KDM4E (0.49) HSP90AB1ALDH1A1KDM4EABL1BCR
SCHEMBL4978175 0.89 HSP90AB1 (0.45) HSP90AB1ALDH1A1KDM4EABL1BCR
SCHEMBL4976685 0.88 P2RX7 (0.45) HSP90AB1TRPV1HRH3HCRTR1HCRTR2
SCHEMBL4978889 0.87 GBA1 (0.47) HSP90AB1TRPV1HRH3PTPN11HCRTR1
SCHEMBL4978097 0.86 P2RX7 (0.49)
SCHEMBL4976947 0.85 MEN1 (0.53) HSP90AB1ALDH1A1KDM4EHRH3PTPN11
SCHEMBL4974914 0.84 MEN1 (0.50) HSP90AB1KDM4EHRH3MAPTPTPN11
SCHEMBL4979609 0.83 HSP90AB1 (0.44) HSP90AB1MAPTPTPN11HCRTR1HCRTR2
SCHEMBL4978129 0.83 RBP4 (0.41) HSP90AB1ALDH1A1KDM4ETRPV1HRH3
SCHEMBL4976453 0.82 HTT (0.56) HSP90AB1ALDH1A1KDM4EHRH3

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 HSP90AB1 2652/4885ALDH1A1 1142/4885KDM4E 1865/4885

“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.