SCHEMBL3857090

SCHEMBL3857090

COc1ccc(-c2ccc3c(c2)c2c(n3C)CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.56
PTGS2 P35354 2/20 0.56
ALOX5 P09917 1/20 0.56
HTR6 P50406 2/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
MCHR1 Q99705 2/20 0.45
HTR5A P47898 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ATM Q13315 1/20 0.42
MTNR1A P48039 1/20 0.42

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
SCHEMBL9616130 0.88 ALOX5 (0.61) PTGS1PTGS2ALOX5HTR6DRD2
SCHEMBL3857095 0.83 ALOX5 (0.76) PTGS1PTGS2ALOX5PTGDR2
SCHEMBL3853703 0.81 ALOX5 (0.48) PTGS1PTGS2ALOX5HTR6HTR5A
SCHEMBL14595449 0.80 ALOX5 (0.58) PTGS1PTGS2ALOX5
SCHEMBL17722992 0.78 L3MBTL1 (0.61) ATM
SCHEMBL3859121 0.78 HTR6 (0.67) PTGS1PTGS2HTR6PTGDR2
SCHEMBL12983538 0.78 MCHR1 (0.75) MCHR1
SCHEMBL3859716 0.75 ALOX5 (0.45) PTGS1PTGS2ALOX5HTR6DRD2
SCHEMBL15101429 0.74 ALOX5 (0.67) PTGS1PTGS2ALOX5HTR6
SCHEMBL13877233 0.73 ALOX5 (0.65) PTGS1PTGS2ALOX5HTR6HTR5A

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-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT PTGS1 2152/4885PTGS2 1495/4885ALOX5 1638/4885

“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.