SCHEMBL5375276

SCHEMBL5375276

CN1CCC(c2cn(CCc3ccccc3)c3ccc(O)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
THPO P40225 1/20 0.46
DRD3 P35462 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH2 P25021 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL5367153 0.90 PLA2G2A (0.49) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL5416436 0.82 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL14487136 0.79 HTR6 (0.48) HRH2HTR2AHTR2CHTR2B
SCHEMBL5373867 0.79 PDE4A (0.53) CYP1A2CYP3A4CYP2D6CYP2C9THPO
Oxalic Acid SCHEMBL5383137 0.78 HTR6 (0.45) HRH2HTR2AHTR2CHTR2B
SCHEMBL5367428 0.78 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL5369594 0.75 HTR6 (0.65) DRD3HRH2HTR2AHTR2CHTR2B
Oxalic Acid SCHEMBL27544244 0.75 MAPT (0.52) CYP1A2CYP3A4CYP2D6CYP2C9THPO
Hydrochloric Acid SCHEMBL5369592 0.75 HTR6 (0.64) DRD3HRH2HTR2AHTR2CHTR2B
SCHEMBL5412999 0.74 CYP1A2 (0.40) 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 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 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.