SCHEMBL1285141

SCHEMBL1285141

O=C(O)c1ccc2nc(N3CCC(C(F)(F)F)CC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
PDE10A Q9Y233 1/20 0.45
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
MAP4K4 O95819 1/20 0.42
MCHR1 Q99705 6/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL1644219 0.89 HRH3 (0.52) HRH3PDE10ATP53KDM4EMAPT
SCHEMBL10272098 0.83 HRH3 (0.47) HRH3PDE10ANPC1KDM4EMAPT
SCHEMBL1644052 0.83 HRH3 (0.54) HRH3TP53KDM4EHDAC3HDAC2
SCHEMBL4556887 0.81 PTGER4 (0.55) HRH3NPC1MITFTP53NFKB1
SCHEMBL1644303 0.81 HRH3 (0.53) HRH3TP53KDM4EMAPTHDAC3
SCHEMBL1285530 0.80 HRH3 (0.52) HRH3PDE10ATP53KDM4EHDAC3
SCHEMBL1645114 0.79 PIK3CA (0.58) HRH3PDE10AKDM4EHDAC3HDAC2
Hydrochloric Acid SCHEMBL18109905 0.78 HTR3A (0.60) HRH3TP53SMN1; SMN2KDM4EMAPT
SCHEMBL29893524 0.78 WHR1 (0.42) TP53RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4307874 0.77 HRH3 (0.52) HRH3TP53KDM4EHDAC3HDAC2

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HRH3 556/4885PDE10A 1086/4885NPC1 879/4885

“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.