SCHEMBL512747

SCHEMBL512747

CC(C)c1noc(C=C2CCNCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PLAT P00750 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL514095 0.78 HRH3 (0.35) PLATHRH3HTR2AHTR2CHTR2B
SCHEMBL514361 0.69 GRM5 (0.41) GPR119
SCHEMBL4371882 0.68
SCHEMBL512905 0.68 RAB9A (0.51) MAOBPLATHTR2C
SCHEMBL8056839 0.67 GPR119 (0.35) MAOAMAOBGPR119
SCHEMBL1673933 0.67 NR1H4 (0.47) MAOAMAOBPLATGPR119
Hydrochloric Acid SCHEMBL514637 0.66 NR1H4 (0.46) MAOAMAOBPLATGPR119
SCHEMBL512779 0.64 MAOA (0.44) MAOAMAOB
SCHEMBL12505995 0.63 GPR119 (0.62) MAOAMAOBPLATGPR119
SCHEMBL12069932 0.62 MAOA (0.35) MAOAMAOBPLATGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 MAOA 412/4885MAOB 309/4885PLAT 3496/4885

“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.