SCHEMBL5363538

SCHEMBL5363538

CN1CCC(c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
THPO P40225 1/20 0.60
HTR1D P28221 4/20 0.57
HTR1B P28222 3/20 0.57
MAPT P10636 2/20 0.54
BLM P54132 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
NOS1 P29475 2/20 0.53
KCNH2 Q12809 1/20 0.52
APP P05067 1/20 0.52
TRPM8 Q7Z2W7 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HTR1A P08908 1/20 0.51
CYP2C19 P33261 1/20 0.51

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 SCHEMBL9031803 0.87 OPRM1 (0.55) MAPTOPRM1OPRK1OPRL1TRPM8
SCHEMBL26863407 0.87 TRPM8 (0.56) CYP1A2CYP3A4HTR1DHTR1BMAPT
SCHEMBL5705170 0.86 KDM4E (0.62) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL5705128 0.85 HTR2C (0.56) CYP1A2CYP3A4HTR1DHTR1BMAPT
SCHEMBL15957099 0.83 TRPM8 (0.58) HTR1DHTR1BMAPTTRPM8KDM4E
SCHEMBL7461070 0.83 OPRM1 (0.48) CYP1A2CYP3A4OPRM1OPRK1OPRL1
SCHEMBL6358219 0.81 TRPM8 (0.52) CYP1A2CYP3A4HTR1DHTR1BMAPT
SCHEMBL7710792 0.81 HTR1D (0.67) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL7464972 0.79 OPRM1 (0.51) CYP1A2CYP3A4MAPTOPRM1OPRK1
SCHEMBL7465879 0.79 HTR1D (0.60) CYP1A2CYP3A4CYP2D6CYP2C9THPO

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.