SCHEMBL16467951

SCHEMBL16467951

CC(C)(C)C(CN(Cc1cccc(N)c1)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
PTGES O14684 4/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD11B1 P28845 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 2/20 0.38
CASR P41180 1/20 0.38
LMNA P02545 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
SCHEMBL16468155 0.91 PTGES (0.38) OPRK1PTGESGRM2GRM3TRPM8
SCHEMBL16468270 0.91 OPRK1 (0.39) OPRK1PTGESGRM2GRM3KDM4E
SCHEMBL16468258 0.90 MEN1 (0.47) PTGESKMT2ALMNAMEN1L3MBTL1
SCHEMBL16468455 0.90 PTGES (0.41) OPRK1PTGESGRM2GRM3TRPM8
SCHEMBL16467940 0.88 CASR (0.43) OPRK1PTGESGRIN2DGRIN3BGRIN1
SCHEMBL16468308 0.88 AOC3 (0.43) PTGESGRM2GRM3TRPM8KMT2A
SCHEMBL16468252 0.84 PTGES (0.44) PTGESTRPM8KMT2AMEN1L3MBTL1
SCHEMBL16468409 0.81 CYP1A2 (0.53) OPRK1KDM4EKMT2ALMNAMEN1
SCHEMBL16468159 0.80 PTGES (0.44) PTGESGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16467944 0.79 MEN1 (0.42) KMT2ACASRLMNAMEN1

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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. ZO.O (PL) 2015-02-19 US disclosed
US-8940727-B2 Benzazepine compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-27 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 (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 OPRK1 350/4885PTGES 3776/4885GRIN2D 161/4885

“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.