SCHEMBL617023

SCHEMBL617023

N#Cc1ccc2ccc(OC(=O)O)cc2c1-c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
TYK2 P29597 2/20 0.34
SCN9A Q15858 1/20 0.34
MRGPRX4 Q96LA9 3/20 0.33
JAK2 O60674 1/20 0.33
AR P10275 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CFTR P13569 1/20 0.32

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
SCHEMBL615007 0.92 MRGPRX4 (0.37) CNR2ESR1ESR2HTR1AHTR1D
SCHEMBL617022 0.81 TTR (0.45) CNR2SLC22A12MRGPRX4
SCHEMBL16494467 0.78 SLC22A12 (0.36) CNR2ESR1ESR2SLC22A12EGLN2
SCHEMBL618435 0.77 ALDH1A1 (0.40) NPC1RAB9ATYK2
SCHEMBL13032387 0.76 TRPV4 (0.46) CNR2SLC22A12
SCHEMBL16496916 0.73 ESR1 (0.37) ESR1ESR2RAB9A
SCHEMBL615006 0.73 MRGPRX4 (0.46) MRGPRX4
SCHEMBL10064303 0.73 LMNA (0.45) RAB9AMRGPRX4AR
SCHEMBL16494944 0.72 KDM4E (0.38) ESR1ESR2
SCHEMBL615319 0.72 HTR5A (0.53)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 US disclosed
EP-2394988-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A CNR2 476/4885ESR1 1541/4885ESR2 2023/4885

“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.