SCHEMBL2530775

SCHEMBL2530775

FC(F)(F)c1ccc2nc(N3CC4CNCC4C3)n3ncnc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
SCN9A Q15858 1/20 0.36
PIM1 P11309 1/20 0.35
PDE2A O00408 2/20 0.34
SOS1 Q07889 1/20 0.33
ADRB1 P08588 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
BPTF Q12830 1/20 0.33

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
SCHEMBL2534497 0.88 HRH4 (0.38) HRH4PDE2A
SCHEMBL10013931 0.84 ADRB2 (0.50) HRH4ADRB2NCF1SOS1ADRB1
SCHEMBL2538045 0.84 HRH4 (0.54) HRH4PDE2A
SCHEMBL12225185 0.83 HRH4 (0.40) HRH4ADRB2PIM1CHRNB2CHRNA4
SCHEMBL10013923 0.82 FABP4 (0.41) HRH4ADRB2NCF1PDE2A
SCHEMBL2464872 0.81 ADRB2 (0.47) HRH4ADRB2NCF1SOS1ADRB1
SCHEMBL12224740 0.80 HRH4 (0.52) HRH4ADRB2
SCHEMBL2467922 0.77 HRH4 (0.48) HRH4ADRB2PDE2A
SCHEMBL12246553 0.76 CCRL2 (0.36)
SCHEMBL2462389 0.74 IRAK4 (0.36) HRH4PDE2A

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885ADRB2 571/4885NCF1 1279/4885

“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.