SCHEMBL4206100

SCHEMBL4206100

C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.53
RORC P51449 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H2 P55055 6/20 0.44
NR1H3 Q13133 5/20 0.44
TACR1 P25103 3/20 0.43
HCRTR2 O43614 1/20 0.43
ABCB1 P08183 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
NAMPT P43490 1/20 0.40
RXRA P19793 2/20 0.40

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
SCHEMBL18853751 1.00 HTRA1 (0.53) HTRA1RORCMEN1KMT2ANR1H2
SCHEMBL4196684 1.00 HTRA1 (0.53) HTRA1RORCMEN1KMT2ANR1H2
SCHEMBL15730092 1.00 HTRA1 (0.53) HTRA1RORCMEN1KMT2ANR1H2
SCHEMBL15730122 1.00 HTRA1 (0.53) HTRA1RORCMEN1KMT2ANR1H2
SCHEMBL24700140 0.88 NAMPT (0.46) HTRA1NR1H2NR1H3HCRTR2GPR119
SCHEMBL24700143 0.87 HCRTR2 (0.47) HTRA1RORCMEN1KMT2ANR1H2
SCHEMBL205497 0.84 HTRA1 (0.60) HTRA1RORCMEN1KMT2ANR1H2
SCHEMBL1782234 0.84 HTRA1 (0.60) HTRA1RORCMEN1KMT2ANR1H2
SCHEMBL5201925 0.84 HTRA1 (0.60) HTRA1RORCMEN1KMT2ANR1H2
SCHEMBL9543379 0.84 HTRA1 (0.60) HTRA1RORCMEN1KMT2ANR1H2

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-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A HTRA1 470/4885RORC 1130/4885MEN1 1566/4885

“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.