SCHEMBL16468482

SCHEMBL16468482

COc1ccc(OCCN(Cc2cccc(N)c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
SLC2A1 P11166 7/20 0.41
SLC2A4 P14672 3/20 0.39
SLC2A8 Q9NY64 1/20 0.39
DRD2 P14416 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGES O14684 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL16468138 0.93 SLC2A1 (0.41) SLC2A1SLC2A4SLC2A8KDM4EALDH1A1
SCHEMBL16468158 0.91 F2 (0.43) TSHRNPC1KDM4EALDH1A1LMNA
SCHEMBL16468257 0.88 LPAR1 (0.47) L3MBTL1TSHRSLC2A1SLC2A4SLC2A8
SCHEMBL16468164 0.87 F2 (0.43) L3MBTL1SLC2A1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16468156 0.87 LPAR1 (0.45) L3MBTL1TSHRSLC2A1SLC2A4SLC2A8
SCHEMBL16468243 0.87 CHRNB2 (0.47) DRD2KDM4EALDH1A1PTGES
SCHEMBL16467906 0.86 LMNA (0.39) L3MBTL1SMN1; SMN2KDM4ELMNAPTGES
SCHEMBL15266143 0.85 TSHR (0.52) TSHRSLC2A1SLC2A4SLC2A8RAB9A
SCHEMBL16467929 0.85 KDM4E (0.48) SLC2A1KDM4EALDH1A1PKM
SCHEMBL16468160 0.85 KDM4E (0.39) SLC2A1SLC2A4SLC2A8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. ZO.O (PL) 2015-02-19 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 (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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES AQP4, BCL6, STS L3MBTL1 1649/4885TSHR 834/4885SLC2A1 1314/4885

“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.