SCHEMBL2361008

SCHEMBL2361008

CCn1c(C(=O)c2c(C)n(CCC(=O)O)c3ccccc23)cc2ccsc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CNR2 P34972 15/20 0.46
CNR1 P21554 7/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C19 P33261 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL15097974 0.91 CNR2 (0.56) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL15092043 0.89 CNR2 (0.44) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL2359903 0.89 CNR2 (0.47) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL2360651 0.87 CNR2 (0.47) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL15097964 0.87 CNR2 (0.54) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL12443332 0.86 CNR2 (0.58) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL12443765 0.83 CNR2 (0.56) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL12443175 0.82 CNR2 (0.43) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL2359543 0.82 CNR2 (0.57) ALDH1A1CNR2CNR1CYP1A2HPGD
SCHEMBL15098326 0.82 CNR1 (0.41) CNR2CNR1CYP1A2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178453-A1 Cannabinoid Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20130178453-A1 Cannabinoid Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20130178453-A1 Cannabinoid Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
WO-2011100359-A1 CANNABINOID AGONISTS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-08-18 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 (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-20130178453-A1 Cannabinoid Agonists CNR2, CNR1, GPR18 ALDH1A1 2110/4885CNR2 1/4885CNR1 2/4885

“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.