SCHEMBL808974

SCHEMBL808974

CCC(=O)CCCc1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 3/20 0.46
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
IDO1 P14902 1/20 0.35
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL6691667 0.88 IAPP (0.47) IAPPTAAR1CYP1A2CYP2D6CYP2C9
SCHEMBL8244985 0.84 IAPP (0.50) IAPPCYP4F2CYP4A11SMN1; SMN2ALDH1A1
SCHEMBL809020 0.82 TAAR1 (0.47) IAPPTAAR1CYP1A2CYP2D6CYP2C9
SCHEMBL29712399 0.82 TAAR1 (0.47) IAPPTAAR1CYP1A2CYP2D6CYP2C9
SCHEMBL6072736 0.82 TAAR1 (0.41) IAPPTAAR1CYP1A2CYP2D6CYP2C9
SCHEMBL1964215 0.80 HDAC3 (0.57) TAAR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29381368 0.80 HDAC3 (0.57) TAAR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL809125 0.79 TAAR1 (0.44) TAAR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6073090 0.79 TAAR1 (0.44) TAAR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6072610 0.79 TAAR1 (0.41) TAAR1CYP1A2CYP2D6CYP2C9CYP2C19

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 IAPP 4110/4885TAAR1 1037/4885CYP1A2 172/4885

“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.