SCHEMBL3859121

SCHEMBL3859121

COc1ccc(-c2ccc3c(c2)c2c(n3Cc3ccccc3)CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.67
FABP4 P15090 3/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
HRH1 P35367 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
P2RX4 Q99571 1/20 0.46
PIK3CD O00329 1/20 0.46
BACE1 P56817 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL3853519 0.85 HTR6 (0.52) HTR6FABP4CA1CA2PTGS1
SCHEMBL3853296 0.85 CA1 (0.59) HTR6FABP4CA1CA2PTGS1
SCHEMBL3852363 0.84 FABP4 (0.53) HTR6FABP4CA1CA2PTGS1
SCHEMBL3860461 0.84 HTR6 (0.50) HTR6FABP4CA1CA2PTGS1
SCHEMBL3853687 0.79 HTR6 (0.45) HTR6FABP4CA1CA2PTGS1
SCHEMBL3857090 0.78 PTGS1 (0.56) HTR6PTGS1PTGS2PTGDR2
SCHEMBL4726486 0.78 KDM4E (0.52) HTR6CA1CA2HRH1PTGDR2
SCHEMBL7464584 0.78 CA1 (0.67) HTR6FABP4CA1CA2PTGS1
SCHEMBL3854740 0.77 TSHR (0.57)
SCHEMBL3857256 0.77 CA1 (0.65) HTR6FABP4CA1CA2PTGS1

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 HTR6 18/4885FABP4 3815/4885CA1 2159/4885

“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.