SCHEMBL4084325

SCHEMBL4084325

CC1(C)C(C(=O)Nc2sc3c(c2C(=O)O)CCC2(C3)OCCO2)C1(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.71
CNR2 P34972 1/20 0.48
PTPRC P08575 2/20 0.44
PTPN2 P17706 2/20 0.44
PTPRB P23467 2/20 0.44
PTPRE P23469 2/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB7A P51149 2/20 0.41
POLB P06746 1/20 0.40
PTPN6 P29350 1/20 0.40
NOD1 Q9Y239 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38

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
SCHEMBL4086551 0.85 KMT2A (0.55) PTPN1CNR2KMT2AALDH1A1MAPT
SCHEMBL4089515 0.84 CNR2 (0.71) PTPN1CNR2POLB
SCHEMBL4090461 0.81 CNR2 (0.70) PTPN1CNR2PTPRCPTPN2PTPRB
SCHEMBL4144598 0.80 PTPN1 (0.72) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL21603822 0.79 PTPN1 (0.61) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4091622 0.79 PTPN1 (0.63) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4086799 0.79 PTPN1 (0.63) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5453513 0.77 FLT3 (0.62) PTPN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL5458434 0.76 PTPN1 (0.55) PTPN1KMT2AMEN1NPC1ALDH1A1
SCHEMBL4079889 0.76 PTPN1 (0.66) PTPN1CNR2PTPRCPTPN2PTPRB

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 2348/4885CNR2 2/4885PTPRC 1716/4885

“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.