SCHEMBL4978129

SCHEMBL4978129

O=C(Cc1cccc(C(F)(F)F)c1F)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.41
HSP90AB1 P08238 3/20 0.40
TRPV1 Q8NER1 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
MAPT P10636 1/20 0.37
PRCP P42785 1/20 0.36
PTPN11 Q06124 1/20 0.36
ACHE P22303 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL4977153 0.93 RBP4 (0.48) RBP4HSP90AB1TRPV1KDM4EALDH1A1
SCHEMBL4974618 0.87 HSP90AB1 (0.43) HSP90AB1KDM4EALDH1A1HRH3MAPT
SCHEMBL4976685 0.86 P2RX7 (0.45) HSP90AB1TRPV1HRH3HCRTR1HCRTR2
SCHEMBL4978643 0.84 ACHE (0.49) KDM4EALDH1A1MAPTPTPN11ACHE
SCHEMBL4975173 0.84 HSP90AB1 (0.44) HSP90AB1KDM4EALDH1A1HRH3MAPT
SCHEMBL4980609 0.84 HSP90AB1 (0.40) HSP90AB1KDM4EALDH1A1HRH3MAPT
SCHEMBL4978128 0.83 DGAT1 (0.46) HSP90AB1KDM4EALDH1A1MAPTPTPN11
SCHEMBL4980033 0.83 MAPT (0.48) HSP90AB1KDM4EALDH1A1MAPTPTPN11
SCHEMBL4973587 0.83 LMNA (0.48) KDM4EALDH1A1MAPT
SCHEMBL4978877 0.83 KMT2A (0.51) KDM4EALDH1A1

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 RBP4 2518/4885HSP90AB1 2652/4885TRPV1 278/4885

“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.