SCHEMBL6099722

SCHEMBL6099722

Cc1cccc2c1O[C@H](CO)CN2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.50
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SIRT1 Q96EB6 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CASR P41180 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
ADRB1 P08588 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
HTR1A P08908 1/20 0.32
PAX8 Q06710 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL6101163 0.86 MAOA (0.38) NISCHMAOAMAOBSIRT1ALDH1A1
SCHEMBL3205690 0.85 MAOA (0.37) NISCHMAOAMAOBSIRT1ALDH1A1
SCHEMBL7919024 0.82 KDM4E (0.46) NISCHMAOAMAOBALDH1A1KDM4E
SCHEMBL6102026 0.79 CASR (0.49) NISCHSIRT1CASRSIRT2HTR1A
SCHEMBL731248 0.79 CASR (0.49) NISCHSIRT1CASRSIRT2HTR1A
SCHEMBL1689633 0.79 CASR (0.49) NISCHSIRT1CASRSIRT2HTR1A
SCHEMBL6098334 0.75 NISCH (0.48) NISCHMAOAMAOBALDH1A1KMT2A
SCHEMBL7817626 0.75 NISCH (0.48) NISCHMAOAMAOBALDH1A1KMT2A
SCHEMBL7824844 0.74 POLB (0.45) NISCHSIRT1ALDH1A1SIRT2POLB
SCHEMBL4959265 0.73 NISCH (0.35) NISCHMAOAMAOBSIRT1

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-7153852-B2 Indole compounds, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 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-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient IDO1, IDO2, PTGIR NISCH 1449/4885MAOA 314/4885MAOB 298/4885

“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.