SCHEMBL5367096

SCHEMBL5367096

COc1cc2c3c(ccn3CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.41
DRD2 P14416 5/20 0.41
DRD5 P21918 5/20 0.41
DRD3 P35462 5/20 0.41
DRD4 P21917 4/20 0.41
HSD17B10 Q99714 1/20 0.40
WDR5 P61964 2/20 0.38
LIPG Q9Y5X9 1/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TUBB4A P04350 4/20 0.37
TUBB P07437 4/20 0.37
TUBA3C P0DPH7 4/20 0.37
TUBA1B P68363 4/20 0.37
TUBA4A P68366 4/20 0.37
TUBB4B P68371 4/20 0.37

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
SCHEMBL6325423 0.77 MCL1 (0.33)
SCHEMBL34468390 0.76 NPC1 (0.34) NPC1LMNARAB9ATSHR
SCHEMBL6327004 0.76 NPC1 (0.34) NPC1LMNARAB9ATSHR
SCHEMBL31070613 0.76 PRNP (0.33) ALDH1A1
SCHEMBL2344815 0.73 GSK3B (0.44) WDR5
SCHEMBL26266621 0.73 HTR1A (0.36) DRD1DRD2DRD5DRD3DRD4
SCHEMBL13241018 0.72 DDB1 (0.42) WDR5KMT2ANPC1GAASMN1; SMN2
SCHEMBL23249335 0.72 DRD2 (0.42) DRD2DRD3TSHR
SCHEMBL23248797 0.70 HTR1A (0.42) DRD2DRD3DRD4
SCHEMBL23261642 0.70 DRD2 (0.39) DRD2DRD3DRD4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP disclosed
US-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor FILLA SANDRA ANN (US) 2004-05-27 US disclosed
EP-1377580-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-07 EP disclosed
WO-2002060871-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-08-08 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 (2 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-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor HTR6, HTR5A, TPH1 DRD1 317/4885DRD2 157/4885DRD5 256/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 DRD1 389/4885DRD2 160/4885DRD5 236/4885

“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.