SCHEMBL809125

SCHEMBL809125

C=C(CC)CCCc1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HTR2B P41595 1/20 0.30

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
SCHEMBL6697588 0.88 TAAR1 (0.43) TAAR1IDO1LIPGCYP2D6CYP2C9
SCHEMBL808984 0.82 TAAR1 (0.47) TAAR1IDO1LIPGCYP2D6CYP2C9
SCHEMBL808974 0.79 IAPP (0.46) TAAR1IDO1CYP2D6CYP2C9CYP1A2
SCHEMBL6072678 0.79 TAAR1 (0.41) TAAR1IDO1LIPGCYP2D6CYP2C9
SCHEMBL4181180 0.75 TAAR1 (0.56) TAAR1IDO1LIPGCYP2D6CYP2C9
SCHEMBL29712399 0.75 TAAR1 (0.47) TAAR1IDO1CYP2D6CYP2C9CYP1A2
SCHEMBL809020 0.75 TAAR1 (0.47) TAAR1IDO1CYP2D6CYP2C9CYP1A2
SCHEMBL6691667 0.75 IAPP (0.47) TAAR1LIPGCYP2D6CYP2C9CYP1A2
SCHEMBL12812877 0.74 TAAR1 (0.50) TAAR1IDO1CYP2D6CYP2C9CYP1A2
SCHEMBL14302122 0.74 LIPG (0.55) TAAR1IDO1LIPGTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776119-B9 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
EP-1776119-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-01-18 EP disclosed
US-7902224-B2 Tetrahydro-naphthalene derivatives as glucocorticoid receptor modulators GLAXO GROUP LIMITED (GB) 2011-03-08 US disclosed
US-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
EP-1776119-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-25 EP disclosed
WO-2006015870-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-02-16 WO 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-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators NR3C1, NR3C2, MC2R TAAR1 1037/4885IDO1 1955/4885LIPG 2685/4885

“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.