SCHEMBL5370612

SCHEMBL5370612

CN1CCC(c2c3n(c4ccc(O)cc24)CCC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
THPO P40225 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
QDPR P09417 1/20 0.38
DRD1 P21728 6/20 0.37
DRD5 P21918 6/20 0.37
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 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
SCHEMBL5375332 0.90 CYP1A2 (0.42) GAAMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL5369725 0.82 MTNR1A (0.48)
Hydrochloric Acid SCHEMBL5373921 0.73 HTR6 (0.40) ALDH1A1DRD1DRD5DRD2DRD3
SCHEMBL30819801 0.72 GAA (0.53) GAAMAPK1ALDH1A1ALOX15ALOX5
SCHEMBL5367428 0.69 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL5372600 0.67 CYP1A2 (0.58) GAAMAPK1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5372543 0.66 CYP1A2 (0.56) GAAMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL17368685 0.65 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9THPO
Oxalic Acid SCHEMBL27544244 0.64 MAPT (0.52) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL11250873 0.64 GAA (0.52) GAAMAPK1CYP1A2ALDH1A1ALOX15

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
CN-1275967-C As 5-HT6Indol-5-yl benzenesulfonates as receptor antagonists LILLY CO ELI (US) 2006-09-20 CN 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
CN-1489591-A As 5-HT6Indol-5-yl benzenesulfonates as receptor antagonists 2004-04-14 CN 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 GAA 4471/4885MAPK1 1555/4885CYP1A2 973/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 GAA 4367/4885MAPK1 2138/4885CYP1A2 996/4885

“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.