SCHEMBL2469152

SCHEMBL2469152

CN1CCN(c2nc3cc(F)c(F)cc3c3ncnn23)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.57
HRH3 Q9Y5N1 1/20 0.57
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NSD2 O96028 1/20 0.37
PKM P14618 1/20 0.37
TRPV4 Q9HBA0 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACVR1 Q04771 1/20 0.35
KDM1A O60341 1/20 0.34
SOS1 Q07889 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
PDE1B Q01064 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
SCHEMBL12224715 0.91 HRH4 (0.54) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL12224895 0.90 HRH4 (0.58) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL12224899 0.90 HRH4 (0.53) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL2464217 0.90 HRH4 (0.53) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL2465046 0.90 HRH4 (0.58) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL12224798 0.88 HRH4 (0.51) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL12224901 0.88 HRH4 (0.51) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL12225131 0.87 HRH4 (0.50) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL2463631 0.87 HRH4 (0.50) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL2464044 0.85 HRH4 (0.48) HRH4HRH3HTR3EHTR3BHTR3A

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 HRH4 1/4885HRH3 2/4885HTR3E 71/4885

“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.