SCHEMBL2468396

SCHEMBL2468396

Cc1cn2c(n1)c(N1CCN(C)CC1)nc1ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.53
HRH3 Q9Y5N1 4/20 0.53
HTT P42858 1/20 0.50
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
APP P05067 1/20 0.42

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
SCHEMBL2469311 0.90 HRH4 (0.51) HRH4HRH3HTTHTR3EHTR3B
SCHEMBL2464641 0.87 HTT (0.49) HRH4HRH3HTTHTR3EHTR3B
SCHEMBL405310 0.85 HRH4 (0.67) HRH4HRH3HTTHTR3EHTR3B
SCHEMBL2470519 0.81 HTR3E (0.70) HRH4HRH3HTTHTR3EHTR3B
SCHEMBL406006 0.81 HRH4 (0.76) HRH4HRH3HTTHTR3A
SCHEMBL405499 0.78 HRH4 (0.54) HRH4HRH3HTTHTR3EHTR3B
SCHEMBL405096 0.78 HRH4 (0.55) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL2464525 0.77 HTT (0.46) HRH4HTTHTR3EHTR3BHTR3A
SCHEMBL12224701 0.76 HTT (0.53) HRH4HRH3HTTHTR3EHTR3B
SCHEMBL406419 0.76 HRH4 (0.66) HRH4HRH3HTT

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 5 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
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 2/4885HTT 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.