SCHEMBL2466964

SCHEMBL2466964

Fc1cc2nc(N3CCNCC3)n3ncnc3c2cc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.35
SCN9A Q15858 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NCF1 P14598 2/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
UBE2N P61088 1/20 0.33
ADRB2 P07550 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
KCNH2 Q12809 4/20 0.32
SOS1 Q07889 3/20 0.32
CYP2D6 P10635 3/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL2464044 0.88 HRH4 (0.48) HRH4HRH3PDE2APLK1
SCHEMBL2530224 0.85 HRH4 (0.40) HRH4HRH3KCNH2SOS1
SCHEMBL12224904 0.84 SOS1 (0.42) HRH4HRH3NCF1KDM4EALDH1A1
SCHEMBL12224801 0.82 SOS1 (0.42) HRH4HRH3NCF1KDM4EALDH1A1
SCHEMBL12224910 0.81 HRH4 (0.42) HRH4HRH3NCF1ADRB2SOS1
SCHEMBL12224716 0.81 SOS1 (0.42) HRH4HRH3NCF1SOS1ADRB1
SCHEMBL12224888 0.81 HRH4 (0.38) HRH4HRH3NCF1SOS1
SCHEMBL2532585 0.79 HRH4 (0.42) HRH4HRH3NCF1ADRB2SOS1
SCHEMBL2533797 0.79 HRH4 (0.38) HRH4HRH3NCF1SOS1
SCHEMBL2538754 0.79 TAAR1 (0.42) HRH4HRH3PIM1KDM4EALDH1A1

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 4 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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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 SCN4A 2132/4885SCN9A 2850/4885HRH4 1/4885

“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.