SCHEMBL5373867

SCHEMBL5373867

CN1CCC(c2cn(Cc3ccc(F)cc3)c3ccc(O)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
DRD2 P14416 10/20 0.46
SLC6A4 P31645 2/20 0.46
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
HTR6 P50406 2/20 0.45
HTR1B P28222 1/20 0.45
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 1/20 0.43
CACNB4 O00305 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
SCHEMBL5367153 0.89 PLA2G2A (0.49) DRD2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5375276 0.79 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL5372027 0.77 HTR6 (0.49) DRD2HTR6HTR2A
SCHEMBL5367428 0.77 CYP1A2 (0.57) DRD2SLC6A4CYP1A2CYP3A4CYP2D6
Oxalic Acid SCHEMBL5372041 0.76 HTR6 (0.47) DRD2HTR6HTR2A
SCHEMBL5365228 0.76 HTR6 (0.65) DRD2HTR6HTR1B
Hydrochloric Acid SCHEMBL5372021 0.76 HTR6 (0.49) DRD2HTR6HTR2A
Hydrochloric Acid SCHEMBL5365223 0.76 HTR6 (0.64) DRD2HTR6HTR1B
SCHEMBL27494197 0.73 ALDH1A1 (0.59) DRD2HTR6SLC5A1SLC5A2ALDH1A1
SCHEMBL1275102 0.73 HTR1A (0.44) DRD2HTR6HTR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO claimed
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 PDE4A 2777/4885PDE4B 2937/4885PDE4C 3284/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 PDE4A 2634/4885PDE4B 2672/4885PDE4C 3081/4885

“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.