SCHEMBL15030187

SCHEMBL15030187

CS[C@H]1O[C@H](C(N)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 1/20 0.36
ALB P02768 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 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
SCHEMBL20723883 1.00 HTR2A (0.39) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL25827165 1.00 HTR2A (0.39) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL22604289 1.00 HTR2A (0.39) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL14194007 1.00 HTR2A (0.39) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL4864303 1.00 HTR2A (0.39) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL20730512 1.00 HTR2A (0.39) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL20729523 1.00 HTR2A (0.39) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL24299478 0.86 HTR2A (0.30) HTR2AADRA1A
SCHEMBL14194246 0.86 ALB (0.34) HTR2AADRA1AALDH1A1L3MBTL1HTR2C
SCHEMBL4869663 0.86 ALB (0.34) HTR2AADRA1AALDH1A1L3MBTL1HTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809156-B1 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) UNIV TEXAS (US) 2017-05-24 EP disclosed
US-9533973-B2 Allosteric modulators of 5-hydroxytryptamine 2C receptor (5-HT2CR) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-03 US disclosed
US-20140336375-A1 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-13 US disclosed
US-20140336375-A1 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-13 US disclosed
WO-2013086266-A2 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-13 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-20140336375-A1 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) HTR2C, HTR2A, HTR3B HTR2A 2/4885ADRA1A 211/4885ALDH1A1 4070/4885

“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.