SCHEMBL1992945

SCHEMBL1992945

O=C(OC1NCCOc2ccc3c(c(Cl)cn3S(=O)(=O)c3ccc(F)cc3)c21)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.37
PKM P14618 2/20 0.34
PKLR P30613 1/20 0.34
HTR2C P28335 1/20 0.33
RORC P51449 7/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL1998227 0.92 HTR6 (0.36) HTR6PKMPKLRHTR2CRORC
Trifluoroacetic Acid SCHEMBL1997380 0.77 HTR6 (0.38) HTR6PKMPKLRHTR2C
Trifluoroacetic Acid SCHEMBL1992942 0.76 HTR6 (0.41) HTR6PKMPKLRHTR2CRORC
Trifluoroacetic Acid SCHEMBL4409732 0.76 HTR6 (0.37) HTR6PKMPKLRHTR2C
Trifluoroacetic Acid SCHEMBL1998089 0.75 HTR6 (0.39) HTR6PKMPKLRHTR2CRORC
SCHEMBL1994375 0.73 HTR6 (0.43) HTR6HTR2CALDH1A1
SCHEMBL1999781 0.73 HTR6 (0.46) HTR6PKMPKLRHTR2C
SCHEMBL2003639 0.72 HTR6 (0.42) HTR6PKMPKLRHTR2C
Trifluoroacetic Acid SCHEMBL1994879 0.72 KDM4E (0.36) HTR6ALDH1A1KMT2A
SCHEMBL2001918 0.71 PKM (0.44) HTR6PKMPKLRHTR2C

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 1/4885PKM 1287/4885PKLR 2231/4885

“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.