SCHEMBL2469843

SCHEMBL2469843

CN1CCN(c2nc3c(F)cc(Cl)cc3n3ncnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.45
HRH3 Q9Y5N1 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HTR3A P46098 2/20 0.42
CNR1 P21554 2/20 0.39
KCNH2 Q12809 2/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
PDE2A O00408 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
NSD2 O96028 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL2538763 0.86 HRH4 (0.42) HRH4KCNH2
SCHEMBL12224926 0.86 HRH4 (0.44) HRH4HRH3SMN1; SMN2HTR3AHTR3E
SCHEMBL12224929 0.84 HRH4 (0.45) HRH4HRH3SMN1; SMN2HTR3ATP53
SCHEMBL12224889 0.81 HRH4 (0.64) HRH4HRH3SMN1; SMN2HTR3ATP53
SCHEMBL12224891 0.79 HTR3B (0.45) HRH4HRH3SMN1; SMN2HTR3ATP53
SCHEMBL406469 0.79 HRH4 (0.61) HRH4HRH3SMN1; SMN2HTR3ACNR1
SCHEMBL12224898 0.78 HTR3E (0.48) HRH4HRH3SMN1; SMN2HTR3AHTR3E
SCHEMBL405681 0.78 HRH4 (0.66) HRH4HRH3HTR3A
SCHEMBL12224896 0.78 HRH4 (0.66) HRH4HRH3SMN1; SMN2HTR3ACNR1
SCHEMBL12224883 0.74 HTR3E (0.45) HRH4HRH3SMN1; SMN2HTR3AHTR3E

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 2/4885SMN1; SMN2 4774/4885

“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.