SCHEMBL1995420

SCHEMBL1995420

C[C@H](COc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1C=O)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.45
BCHE P06276 7/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL1996848 0.78 NPC1 (0.54) HTR6BCHE
SCHEMBL3611707 0.77 HTR6 (0.67) HTR6BCHEHDAC3HDAC4HDAC1
SCHEMBL1993536 0.71 HTR6 (0.65) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4021090 0.69 HTR6 (0.55) HTR6BCHE
SCHEMBL4027624 0.69 HTR6 (0.47) HTR6
SCHEMBL4018797 0.68 HTR6 (0.71) HTR6
SCHEMBL3622891 0.67 HTR6 (0.56) HTR6BCHE
Hydrochloric Acid SCHEMBL27567030 0.67 HTR6 (0.58) HTR6BCHE
SCHEMBL4021085 0.66 HTR6 (0.54) HTR6BCHE
SCHEMBL3607517 0.66 HTR6 (0.63) HTR6BCHE

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-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885BCHE 1295/4885HDAC3 1955/4885

“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.