SCHEMBL4089799

SCHEMBL4089799

CC1(C(=O)Nc2sc3c(c2C(=O)O)CCOC3)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.62
PTPRC P08575 2/20 0.62
PTPN2 P17706 2/20 0.62
PTPRB P23467 2/20 0.62
PTPRE P23469 2/20 0.62
RAB7A P51149 1/20 0.51
CNR2 P34972 8/20 0.49
KMT2A Q03164 2/20 0.46
NOD1 Q9Y239 1/20 0.46
PTPN6 P29350 1/20 0.45
CFTR P13569 1/20 0.45
CNR1 P21554 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4091575 0.86 CNR2 (0.62) CNR2CNR1ALDH1A1
SCHEMBL4090464 0.85 CNR2 (0.53) CNR2KMT2ACNR1GAAALDH1A1
SCHEMBL4091613 0.84 CNR2 (0.71) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5467477 0.83 CFTR (0.60) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4090883 0.81 RAB7A (0.57) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4090461 0.81 CNR2 (0.70) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4091407 0.80 PTPRC (0.58) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL14300728 0.79 PTPN1 (0.57) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4085581 0.79 PTPRC (0.54) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4095514 0.78 CNR2 (0.73) PTPN1PTPRCPTPN2PTPRBPTPRE

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 2 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
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US 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 PTPN1 2348/4885PTPRC 1716/4885PTPN2 2430/4885

“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.