SCHEMBL1775717

SCHEMBL1775717

Nc1ccc(O[C@H]2CCN(C(=O)O)C2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39
HMOX1 P09601 1/20 0.38
EP300 Q09472 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MCHR1 Q99705 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
SCHEMBL1775265 1.00 NOS3 (0.44) NOS3NOS1NOS2KMT2AIDO1
SCHEMBL1776683 1.00 NOS3 (0.44) NOS3NOS1NOS2KMT2AIDO1
SCHEMBL1774390 0.92 KMT2A (0.41) NOS3NOS1NOS2KMT2AIDO1
SCHEMBL1775240 0.81 AR (0.40) NOS3NOS1NOS2KMT2AHMOX1
SCHEMBL1775972 0.81 AR (0.40) NOS3NOS1NOS2KMT2AHMOX1
SCHEMBL1775998 0.81 AR (0.40) NOS3NOS1NOS2KMT2AHMOX1
SCHEMBL12601553 0.80 NOS3 (0.64) NOS3NOS1NOS2IDO1EP300
SCHEMBL1776249 0.78 KDM1A (0.55) KDM4EPDE4B
SCHEMBL4602657 0.77 NPC1 (0.46) KMT2AKDM4ESMN1; SMN2EPHX2
SCHEMBL2532124 0.76 EPHX2 (0.53) CHRM3EPHX2

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-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 NOS3 711/4885NOS1 1697/4885NOS2 1446/4885

“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.