SCHEMBL2464044

SCHEMBL2464044

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TRPV4 Q9HBA0 5/20 0.42
ACVR1 Q04771 6/20 0.38
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
PDE2A O00408 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
MET P08581 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
PLK1 P53350 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 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
SCHEMBL2466964 0.88 SCN4A (0.35) HRH4HRH3PDE2APLK1
SCHEMBL2469152 0.85 HRH4 (0.57) HRH4HRH3TRPV4ACVR1HTR3E
SCHEMBL12224901 0.84 HRH4 (0.51) HRH4HRH3TRPV4HTR3EHTR3B
SCHEMBL12224715 0.82 HRH4 (0.54) HRH4HRH3TRPV4ACVR1HTR3E
SCHEMBL12224798 0.82 HRH4 (0.51) HRH4HRH3TRPV4HTR3EHTR3B
SCHEMBL12224899 0.81 HRH4 (0.53) HRH4HRH3TRPV4ACVR1HTR3E
SCHEMBL12224895 0.81 HRH4 (0.58) HRH4HRH3TRPV4ACVR1HTR3E
SCHEMBL11725659 0.81 HRH4 (0.55) HRH4HRH3ACHEBACE1SMN1; SMN2
SCHEMBL2465046 0.79 HRH4 (0.58) HRH4HRH3TRPV4ACVR1HTR3E
SCHEMBL2464217 0.79 HRH4 (0.53) HRH4HRH3TRPV4HTR3EHTR3B

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 2/4885TRPV4 421/4885

“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.