SCHEMBL2467018

SCHEMBL2467018

Cc1cc(C(F)(F)F)cc2c1nc(N1CCN(C)CC1)c1nncn12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.69
HRH3 Q9Y5N1 8/20 0.69
HTR3A P46098 1/20 0.52
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL442674 0.90 HRH4 (0.68) HRH4HRH3HTR3ATP53MAPT
SCHEMBL2470171 0.87 HRH4 (0.53) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL2463274 0.86 HRH4 (0.53) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL2535746 0.86 HRH4 (0.63) HRH4HRH3HTR3ATP53MAPT
SCHEMBL12225204 0.85 HRH4 (0.68) HRH4HRH3HTR3ATP53MAPT
SCHEMBL2467126 0.83 HRH4 (0.67) HRH4HRH3HTR3A
SCHEMBL342005 0.83 HRH4 (0.71) HRH4HRH3HTR3ATP53MAPT
SCHEMBL14828783 0.82 HRH4 (1.00) HRH4HRH3HTR3A
SCHEMBL12245647 0.82 HRH4 (0.48) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL2489323 0.81 HRH4 (0.51) HRH4HRH3HTR3ATP53MAPT

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 2/4885HTR3A 153/4885

“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.