SCHEMBL3648971

SCHEMBL3648971

O=C(O)C1CCCC1c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
TBXA2R P21731 1/20 0.45
HSD11B1 P28845 3/20 0.44
SLC9A1 P19634 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 1/20 0.43
HTT P42858 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
NR3C2 P08235 1/20 0.42
KDM1A O60341 2/20 0.41
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL14921526 0.96 SMN1; SMN2 (0.51) SMN1; SMN2HRH3TAAR1TBXA2RHSD11B1
SCHEMBL14921525 0.96 SMN1; SMN2 (0.51) SMN1; SMN2HRH3TAAR1TBXA2RHSD11B1
SCHEMBL14921524 0.96 SMN1; SMN2 (0.51) SMN1; SMN2HRH3TAAR1TBXA2RHSD11B1
SCHEMBL4608144 0.84 SLC9A1 (0.50) HRH3SLC9A1SLC6A2SLC6A4SIGMAR1
SCHEMBL12592455 0.83 KCNQ3 (0.53) HRH3SLC6A2SLC6A4KCNQ3KCNQ2
SCHEMBL4522521 0.83 KCNQ3 (0.53) HRH3SLC6A2SLC6A4KCNQ3KCNQ2
SCHEMBL839092 0.83 KCNQ3 (0.53) HRH3SLC6A2SLC6A4KCNQ3KCNQ2
SCHEMBL7352063 0.83 KCNQ3 (0.53) HRH3SLC6A2SLC6A4KCNQ3KCNQ2
SCHEMBL7352068 0.83 KCNQ3 (0.53) HRH3SLC6A2SLC6A4KCNQ3KCNQ2
SCHEMBL7191194 0.83 SLC6A2 (0.48) HRH3SLC9A1SLC6A2SLC6A4SIGMAR1

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-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
CN-101743223-A Novel compounds as cannabinoid receptor ligands ABBOTT LAB 2010-06-16 CN disclosed
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO disclosed
CN-1972910-A Lactam tachykinin receptor antagonists MERCK & CO INC (US) 2007-05-30 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 (1 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-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 SMN1; SMN2 3100/4885HRH3 85/4885TAAR1 50/4885

“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.