SCHEMBL220637

SCHEMBL220637

CCc1cc2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
MAOA P21397 2/20 0.46
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GPR119 Q8TDV5 6/20 0.40
SLC16A3 O15427 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.36
GLA P06280 1/20 0.36
CA3 P07451 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL220638 1.00 MAOB (0.46) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL15304583 0.89 SLC6A2 (0.48) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL741083 0.89 SLC6A2 (0.48) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL741084 0.89 SLC6A2 (0.48) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL248697 0.88 MAOB (0.46) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL3183936 0.88 MAOB (0.44) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL3183943 0.88 MAOB (0.44) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL1091835 0.88 MAOB (0.44) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL1091288 0.88 MAOB (0.44) MAOBMAOACHRM2CHRM1CHRM3
SCHEMBL1091768 0.88 MAOB (0.44) MAOBMAOACHRM2CHRM1CHRM3

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-20120004257-A1 NOVEL COMPOUNDS NEUROSEARCH A/S (DK) 2012-01-05 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-20120004257-A1 NOVEL COMPOUNDS SLC18A2, SLC18A3, SLC6A2 MAOB 6/4885MAOA 8/4885CHRM2 89/4885

“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.