SCHEMBL4531058

SCHEMBL4531058

CCN(CCF)[C@H]1CCc2c(S(=O)(=O)Nc3cc(Cl)ccc3OC)ccc(OC)c2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.73
QRFPR Q96P65 1/20 0.73
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
WDR5 P61964 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4518798 0.90 HTR6 (0.78) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4961410 0.84 HTR6 (1.00) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4529672 0.84 HTR6 (1.00) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4521081 0.84 HTR6 (1.00) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4513947 0.81 HTR6 (0.67) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4505443 0.79 HTR6 (0.74) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4966544 0.79 HTR6 (0.74) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4515515 0.78 HTR6 (0.73) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4522178 0.77 HTR6 (0.64) HTR6QRFPRPOLBALDH1A1TP53
SCHEMBL4513386 0.77 HTR6 (0.58) HTR6QRFPRPOLBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A HTR6 1/4885QRFPR 79/4885POLB 4660/4885

“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.