SCHEMBL5372600

SCHEMBL5372600

Cc1[nH]c2ccc(O)cc2c1C1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
THPO P40225 1/20 0.58
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR2A P28223 1/20 0.49
OPRM1 P35372 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRD1 P41143 2/20 0.48
OPRL1 P41146 2/20 0.48
CCR2 P41597 1/20 0.48
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
HTR7 P34969 2/20 0.43
HTR1D P28221 1/20 0.43

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
Hydrochloric Acid SCHEMBL5372543 0.99 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9THPO
Hydrochloric Acid SCHEMBL5375438 0.80 MCHR1 (0.52) CYP1A2CYP2D6CYP2C9MAPTHTR2A
SCHEMBL7477987 0.77 HTR6 (0.45) HTR2AOPRM1OPRK1OPRD1OPRL1
SCHEMBL9449066 0.75 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL3546728 0.73 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL30908918 0.73 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL5373938 0.72 HTR2A (0.46) HTR2AOPRM1OPRK1OPRD1OPRL1
SCHEMBL24171115 0.71 HTR2A (0.64) HTR2ADRD2DRD1DRD5GAA
SCHEMBL5375353 0.70 HTR6 (0.59) HTR2AOPRM1OPRK1OPRD1OPRL1
SCHEMBL4069626 0.70 HTR2A (0.56) CYP3A4MAPTHTR2AOPRM1OPRK1

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 8 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
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 CYP1A2 973/4885CYP3A4 963/4885CYP2D6 89/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 CYP1A2 996/4885CYP3A4 955/4885CYP2D6 88/4885

“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.