SCHEMBL15098313

SCHEMBL15098313

CCCn1c(C(=O)c2c(C)n(CCCCl)c3ccccc23)cc2ccsc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.52
CNR1 P21554 11/20 0.52
CYP1A2 P05177 2/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50

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
SCHEMBL2360651 0.93 CNR2 (0.47) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL12443765 0.93 CNR2 (0.56) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL12443332 0.93 CNR2 (0.58) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL2359543 0.92 CNR2 (0.57) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL15097974 0.89 CNR2 (0.56) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL15097964 0.89 CNR2 (0.54) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL2359903 0.87 CNR2 (0.47) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL15098256 0.86 CNR2 (0.52) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL15097977 0.86 CNR2 (0.49) CNR2CNR1CYP1A2HPGDTSHR
SCHEMBL15097976 0.86 CNR2 (0.58) 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 2 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

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 CNR2 1/4885CNR1 2/4885CYP1A2 1088/4885

“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.