SCHEMBL5118321

SCHEMBL5118321

FC(F)(F)c1c[c]c(NCc2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.40
EPHX2 P34913 1/20 0.40
MC5R P33032 3/20 0.39
MC4R P32245 2/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
FFAR1 O14842 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALPG P10696 1/20 0.38
MC3R P41968 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ACP1 P24666 1/20 0.37
PTPN1 P18031 1/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL5125686 0.83 APP (0.45) APPEPHX2FFAR1MEN1MAPT
SCHEMBL5121946 0.82 APP (0.43) APPEPHX2FFAR1
SCHEMBL5120026 0.78 PTGS2 (0.42) APP
SCHEMBL5119302 0.77 POLB (0.45) APPEPHX2MEN1MAPTKMT2A
SCHEMBL5119490 0.77 KCNH2 (0.45) MEN1MAPTKMT2AGAAHTT
SCHEMBL5126994 0.72 HPGD (0.40) MEN1MAPTKMT2AMAPK1GAA
SCHEMBL5125105 0.72 LIPC (0.54) RIOK2FFAR1MEN1MAPTKMT2A
SCHEMBL2987276 0.70 PTPN5 (0.34) MEN1MAPTKMT2AHTT
SCHEMBL27548724 0.70 TAAR1 (0.50) RIOK2MEN1MAPTKMT2APTPN1
SCHEMBL6695702 0.69 TRPA1 (0.44) MC5RMC4RINSRIGF1RRIOK2

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-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US 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 (2 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 APP 1895/4885EPHX2 1456/4885MC5R 739/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 APP 1940/4885EPHX2 1520/4885MC5R 869/4885

“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.