SCHEMBL3753129

SCHEMBL3753129

CC(O)(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cccc2c1OCCO2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ENPP2 Q13822 1/20 0.31
PTGS2 P35354 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
VNN1 O95497 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
SCHEMBL31284966 0.87 EED (0.34) ENPP2
SCHEMBL31285042 0.78
SCHEMBL31285640 0.78 ENPP2 (0.37) ENPP2
SCHEMBL12510465 0.77 CYP11B1 (0.33) ENPP2PTGS2
SCHEMBL3755263 0.77 CYP2C19 (0.43) KDM4EENPP2PTGS2
SCHEMBL31359426 0.77 CYP2C19 (0.43) KDM4EENPP2PTGS2
SCHEMBL31285054 0.76 NR3C1 (0.40) ENPP2
SCHEMBL3416281 0.76 TP53 (0.33) ENPP2PTGS2VNN1
SCHEMBL3418683 0.76 KCNN4 (0.40) ENPP2PTGS2
SCHEMBL34464541 0.76 ENPP2 (0.36) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101052638-B As α24- (condensed cyclomethyl) -imidazole-2-thiones as adrenergic agonists ALLERGAN INC 2011-01-19 CN disclosed
US-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 US disclosed
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 US disclosed
CN-101052638-A As α24- (condensed cyclomethyl) adrenergic agonists-imidazole-2-thiones ALLERGAN INC (US) 2007-10-10 CN disclosed
EP-1791833-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS Allergan, Inc. (US) 2007-06-06 EP disclosed
WO-2006036497-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2006-04-06 WO disclosed
US-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. 2006-03-30 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-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ADRB2, ADRA2C, ADRA2A USP9X 4695/4885KDM4E 2607/4885ENPP2 2744/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A USP9X 4610/4885KDM4E 3132/4885ENPP2 2804/4885

“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.