SCHEMBL4090932

SCHEMBL4090932

O=C(c1ccc([N+](=O)[O-])cc1NC(=O)C12CC3CC(CC1C3)C2)N1CC(F)C1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADORA1 P30542 1/20 0.35
POLB P06746 1/20 0.34
NR3C1 P04150 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4080014 0.83 CNR1 (0.44) P2RX7P2RX4P2RX2ALDH1A1MAPT
SCHEMBL4092469 0.82 CNR2 (0.46) P2RX7ALDH1A1MAPTNPSR1KMT2A
SCHEMBL3679392 0.68 CNR2 (0.47) P2RX7ALDH1A1MAPTADORA1RAB9A
SCHEMBL3688775 0.67 CNR2 (0.46) P2RX7P2RX4P2RX2ALDH1A1KMT2A
SCHEMBL3692835 0.67 CNR2 (0.48) P2RX7ALDH1A1NPSR1ADORA1POLB
SCHEMBL3686323 0.66 CNR2 (0.44) P2RX7ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3685304 0.65 CNR2 (0.45) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14503271 0.65 P2RX7 (0.59) P2RX7P2RX4P2RX2ALDH1A1MAPT
SCHEMBL3685918 0.64 CNR2 (0.49) P2RX7ALDH1A1MAPTNPSR1KMT2A
SCHEMBL4085490 0.63 CNR2 (0.46) P2RX7NPSR1KMT2AMEN1ADORA1

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 P2RX7 340/4885P2RX4 302/4885P2RX2 234/4885

“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.