SCHEMBL23487554

SCHEMBL23487554

c1ccc(-c2ccccc2-c2cc(CCc3ccc(-c4ccccn4)cc3)cc(-c3ccccc3-c3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
HCAR2 Q8TDS4 1/20 0.43
BRS3 P32247 4/20 0.43
NR1I2 O75469 1/20 0.43
NMBR P28336 1/20 0.43
GRPR P30550 1/20 0.43
KCNH2 Q12809 1/20 0.43
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 2/20 0.40
TGFBR1 P36897 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL21290207 0.97 BRS3 (0.44) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL21290196 0.94 BRS3 (0.44) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL21289816 0.92 TGFBR1 (0.44) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL21289802 0.92 FFAR1 (0.41) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL26550027 0.91 FFAR1 (0.44) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL21290226 0.90 TGFBR1 (0.43) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL21290404 0.90 FFAR1 (0.43) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL21290071 0.90 FFAR1 (0.43) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL21290093 0.90 TGFBR1 (0.44) FFAR1HCAR2BRS3NR1I2NMBR
SCHEMBL21289814 0.89 CYP11B1 (0.46) FFAR1BRS3NR1I2NMBRGRPR

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-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 FFAR1 4874/4885HCAR2 4663/4885BRS3 3897/4885

“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.