SCHEMBL513856

SCHEMBL513856

Cc1ccc2oc(C=C3CCNCC3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
MAOB P27338 13/20 0.40
ADORA3 P0DMS8 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOA P21397 3/20 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
SCHEMBL512750 0.80 BCHE (0.54) APPMAOBCA12CA1CA9
SCHEMBL10902852 0.73 BCHE (0.65) MAOBADORA3CA12CA1CA2
SCHEMBL512844 0.71 GRM5 (0.44)
SCHEMBL1397762 0.71 CYP2A6 (0.62) APPMAOBADORA3CA12CA1
SCHEMBL23010595 0.67 ADRB1 (0.46) MAOBADORA3CA12CA1CA2
SCHEMBL10901915 0.67 MAOB (0.48) MAOBADORA3CA12CA1CA2
SCHEMBL12369534 0.66 CHRM2 (0.50) MAOBADORA3CA12CA1CA2
Hydrochloric Acid SCHEMBL4881733 0.65 KMT2A (0.47) MAPT
SCHEMBL4853165 0.65 PIM1 (0.46) MAOBALDH1A1MAOATP53MAPT
SCHEMBL15724788 0.64 ESRRG (0.48)

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 APP 2426/4885MAOB 309/4885ADORA3 282/4885

“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.