SCHEMBL1996682

SCHEMBL1996682

CN1CCOc2ccc3c(c(Cl)cn3S(=O)(=O)c3cccc(F)c3)c2C1(C)OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.40
PKLR P30613 3/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR6 P50406 12/20 0.37
USP9X Q93008 1/20 0.35
RORC P51449 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL1998092 0.85 HTR6 (0.42) PKMPKLRHTTSMN1; SMN2NPSR1
Trifluoroacetic Acid SCHEMBL1996681 0.77 PKM (0.41) PKMPKLRHTTSMN1; SMN2NPSR1
SCHEMBL1996243 0.77 HTR6 (0.41) HTR6
SCHEMBL1997381 0.76 HTR6 (0.40) PKMPKLRSMN1; SMN2HTR6KMT2A
SCHEMBL2001671 0.74 PKM (0.46) PKMPKLRHTTSMN1; SMN2NPSR1
Trifluoroacetic Acid SCHEMBL1998089 0.72 HTR6 (0.39) PKMPKLRHTTSMN1; SMN2NPSR1
SCHEMBL1998909 0.71 HTR6 (0.38) PKMPKLRHTR6HTR2C
SCHEMBL2001918 0.69 PKM (0.44) PKMPKLRHTTSMN1; SMN2NPSR1
SCHEMBL1998227 0.65 HTR6 (0.36) PKMPKLRHTR6RORCHTR2C
SCHEMBL1992945 0.64 HTR6 (0.37) PKMPKLRHTR6RORCKMT2A

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 PKM 1287/4885PKLR 2231/4885HTT 943/4885

“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.