SCHEMBL615007

SCHEMBL615007

N#Cc1ccc2ccc(OC(=O)O)cc2c1-c1c(F)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.37
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
NOS2 P35228 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
FASN P49327 2/20 0.33
TSHR P16473 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
AR P10275 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
SCHEMBL617023 0.92 CNR2 (0.39) MRGPRX4CNR2ESR1ESR2AR
SCHEMBL615006 0.83 MRGPRX4 (0.46) MRGPRX4KDM4EALDH1A1MAPTMEN1
SCHEMBL16494944 0.80 KDM4E (0.38) KDM4EMAPTESR1ESR2MEN1
SCHEMBL617233 0.75 HTR5A (0.57)
Hydrochloric Acid SCHEMBL617389 0.74 HTR5A (0.56)
SCHEMBL16494467 0.74 SLC22A12 (0.36) CNR2MAPTESR1ESR2MEN1
SCHEMBL617022 0.73 TTR (0.45) MRGPRX4CNR2ALDH1A1HPGD
SCHEMBL13032387 0.72 TRPV4 (0.46) CNR2TRPV4
SCHEMBL618435 0.70 ALDH1A1 (0.40) KDM4EALDH1A1MAPTL3MBTL1MEN1
SCHEMBL16496916 0.69 ESR1 (0.37) KDM4EMAPTESR1ESR2MEN1

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 MRGPRX4 2803/4885CNR2 476/4885KDM4E 1624/4885

“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.