SCHEMBL15098326

SCHEMBL15098326

CCn1c(C(=O)c2c(C)n(CCN3CCNC3=O)c3ccccc23)cc2ccsc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12443178 0.89 CNR2 (0.44) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL15097974 0.84 CNR2 (0.56) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL2359903 0.82 CNR2 (0.47) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL2361008 0.82 ALDH1A1 (0.50) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL2360651 0.81 CNR2 (0.47) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL15097964 0.80 CNR2 (0.54) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL12443332 0.80 CNR2 (0.58) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL15092043 0.79 CNR2 (0.44) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL15097959 0.79 CNR1 (0.58) CNR1CNR2
SCHEMBL15098022 0.78 CNR2 (0.49) CNR1CNR2GMNNLMNACYP1A2

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 CNR1 2/4885CNR2 1/4885GMNN 3546/4885

“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.