SCHEMBL4895508

SCHEMBL4895508

[CH2]C[C@@H]1CCc2c(c3cc(F)ccc3n2C)C1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.40
HTR5A P47898 2/20 0.39

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
SCHEMBL4900003 1.00 HTR6 (0.42) HTR6PTGDR2HTR5A
SCHEMBL4900012 0.91 HTR6 (0.43) HTR6PTGDR2HTR5A
SCHEMBL4895512 0.91 HTR6 (0.43) HTR6PTGDR2HTR5A
SCHEMBL13877233 0.73 ALOX5 (0.65) HTR6HTR5A
SCHEMBL7657617 0.72 ALOX5 (0.56)
SCHEMBL18070796 0.71 HTR2A (0.50) HTR5A
Hydrochloric Acid SCHEMBL7662234 0.71 ALOX5 (0.54)
SCHEMBL2246266 0.69 CYP3A4 (0.54)
SCHEMBL5384502 0.68 VPS4B (0.58)
Hydrochloric Acid SCHEMBL2248886 0.68 CYP3A4 (0.53)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 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 (2 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C HTR6 4/4885PTGDR2 250/4885HTR5A 6/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C HTR6 4/4885PTGDR2 250/4885HTR5A 6/4885

“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.