SCHEMBL4979683

SCHEMBL4979683

O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.44
KMT2A Q03164 1/20 0.42
SCN9A Q15858 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
HSP90AA1 P07900 5/20 0.41
CRHR1 P34998 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MGLL Q99685 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL4977057 0.89 HSP90AB1 (0.48) HSP90AB1HSP90AA1KDM2B
SCHEMBL4977010 0.86 HSP90AB1 (0.51) HSP90AB1KMT2ASCN9ASCN10ATRPV1
SCHEMBL4976243 0.85 KDM2B (0.54) HSP90AB1HSP90AA1KDM2B
SCHEMBL4976704 0.85 POLB (0.47) HSP90AB1KMT2AKDM2BMGLL
SCHEMBL4980272 0.84 HSP90AB1 (0.44) HSP90AB1SCN9ASCN10AHSP90AA1
SCHEMBL4978120 0.84 HSP90AB1 (0.48) HSP90AB1HSP90AA1KDM2B
SCHEMBL4978097 0.83 P2RX7 (0.49) MGLL
SCHEMBL4978889 0.83 GBA1 (0.47) HSP90AB1HSP90AA1TRPV1
SCHEMBL4976987 0.83 HSP90AB1 (0.51) HSP90AB1KDM2B
SCHEMBL4978487 0.82 HSP90AB1 (0.47) HSP90AB1KMT2AHSP90AA1KDM2B

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 2652/4885KMT2A 1417/4885SCN9A 2688/4885

“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.