SCHEMBL3031744

SCHEMBL3031744

c1ccc(COc2ccc3c(c2)COC2CNCC32)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.46
MAOA P21397 6/20 0.46
HRH3 Q9Y5N1 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
ALOX5 P09917 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3031742 1.00 MAOB (0.46) MAOBMAOAHRH3GRIN1GRIN2B
SCHEMBL3031740 1.00 MAOB (0.46) MAOBMAOAHRH3GRIN1GRIN2B
SCHEMBL3024731 0.91 MAOB (0.46) MAOBMAOAHRH3CA2CA5A
SCHEMBL3024735 0.91 MAOB (0.46) MAOBMAOAHRH3CA2CA5A
SCHEMBL3024728 0.91 MAOB (0.46) MAOBMAOAHRH3CA2CA5A
SCHEMBL3018527 0.78 CHRNB2 (0.47) CA2
SCHEMBL3018524 0.78 CHRNB2 (0.47) CA2
SCHEMBL3018337 0.78 GRIN1 (0.48) MAOBMAOAHRH3GRIN1GRIN2B
SCHEMBL3018340 0.78 GRIN1 (0.48) MAOBMAOAHRH3GRIN1GRIN2B
SCHEMBL3018338 0.78 GRIN1 (0.48) MAOBMAOAHRH3GRIN1GRIN2B

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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 MAOB 21/4885MAOA 26/4885HRH3 1337/4885

“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.