SCHEMBL12224792

SCHEMBL12224792

CN1CCN(c2nc3c(F)cc(Br)cc3c3ncnn23)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.54
HRH3 Q9Y5N1 3/20 0.54
HTT P42858 1/20 0.38
TRPV4 Q9HBA0 7/20 0.35
NSD2 O96028 1/20 0.35
PKM P14618 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PDE2A O00408 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KDM1A O60341 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
SCHEMBL12224896 0.86 HRH4 (0.66) HRH4HRH3TRPV4NSD2PKM
SCHEMBL12224793 0.86 HRH4 (0.38) HRH4HRH3HTTCCNCCDK8
SCHEMBL12224922 0.84 HRH4 (0.52) HRH4HRH3HTTTRPV4NSD2
SCHEMBL406905 0.82 HRH4 (0.52) HRH4HRH3HTTTRPV4CCNC
SCHEMBL2464217 0.80 HRH4 (0.53) HRH4HRH3HTTTRPV4NSD2
SCHEMBL12224899 0.80 HRH4 (0.53) HRH4HRH3HTTTRPV4NSD2
SCHEMBL12224893 0.80 HRH4 (0.55) HRH4HRH3HTTNSD2PKM
SCHEMBL2469152 0.79 HRH4 (0.57) HRH4HRH3TRPV4NSD2PKM
SCHEMBL12224926 0.78 HRH4 (0.44) HRH4HRH3HTTNSD2PKM
SCHEMBL12224715 0.76 HRH4 (0.54) HRH4HRH3TRPV4NSD2PKM

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 2 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

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 2/4885HTT 125/4885

“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.