SCHEMBL808852

SCHEMBL808852

BrCc1ccccc1I.[Zn]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
IDO1 P14902 2/20 0.48
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM1A O60341 1/20 0.35
MAPK8 P45983 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
C1R P00736 1/20 0.33
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
NPC1 O15118 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 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
SCHEMBL560812 0.97
SCHEMBL29506108 0.97
SCHEMBL29049182 0.86 TAAR1 (0.43) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL7373618 0.77 TAAR1 (0.60) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL29382225 0.76 TSHR (0.50) TAAR1IDO1CYP1A2CYP2D6TSHR
SCHEMBL28289 0.76 TSHR (0.50) TAAR1IDO1CYP1A2CYP2D6TSHR
SCHEMBL19657170 0.75 GABRA1 (0.41) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL3871871 0.75 TAAR1 (0.37) TAAR1IDO1
SCHEMBL31057408 0.75 TAAR1 (0.37) TAAR1IDO1
SCHEMBL29581892 0.75 GABRA1 (0.41) TAAR1IDO1CYP1A2CYP2D6CYP2C9

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 1955/4885CYP1A2 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.