SCHEMBL4978631

SCHEMBL4978631

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CHRM4 P08173 1/20 0.39
PPARD Q03181 1/20 0.38
CNR1 P21554 1/20 0.38
OXTR P30559 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
SLC6A7 Q99884 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 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
SCHEMBL4978438 0.84 SIGLEC9 (0.40) ALDH1A1TLR4TLR9TLR8TLR7
SCHEMBL4977010 0.84 HSP90AB1 (0.51) ALDH1A1GAATRPV1HRH3SCN9A
SCHEMBL3405561 0.83 ALDH1A1 (0.53) NPC1ALDH1A1GAACHRM4PPARD
SCHEMBL4974912 0.80 ME2 (0.44) ALDH1A1CNR1TRPV1HRH3KDM2B
SCHEMBL4980272 0.79 HSP90AB1 (0.44) HRH3SCN9ASCN10AHSP90AB1
SCHEMBL3401794 0.78 NPC1 (0.52) NPC1ALDH1A1GAACHRM4CNR1
SCHEMBL4977801 0.78 POLB (0.49) ALDH1A1KDM2BTLR4TLR9TLR8
SCHEMBL4978440 0.78 LMNA (0.42) ALDH1A1KDM2BTLR4TLR9TLR8
SCHEMBL4979683 0.78 HSP90AB1 (0.44) TRPV1KDM2BSCN9ASCN10AHSP90AB1
SCHEMBL3770291 0.78 NPC1 (0.48) NPC1ALDH1A1GAACHRM4PPARD

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 NPC1 4289/4885ALDH1A1 1142/4885GAA 2670/4885

“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.