SCHEMBL3752945

SCHEMBL3752945

S=c1[nH]cc(CCc2cccc3c2OCO3)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 2/20 0.39
▸ KDM4C Q9H3R0 1/20 0.35
▸ DAO P14920 2/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ MTNR1A P48039 5/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ MT-CO2 P00403 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ TTBK1 Q5TCY1 1/20 0.32
▸ TTBK2 Q6IQ55 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL3747917 0.78 MTNR1A (0.41) DAOMTNR1ADRD2
SCHEMBL3972605 0.71 DAO (0.38) DAOHTR2A
SCHEMBL3752943 0.70 ALDH1A1 (0.37) HTR2AHTR2CTTBK1TTBK2GSK3B
SCHEMBL30360690 0.69 KDM4C (0.46) EEDKDM4CMTNR1AHTR2AHTR2C
SCHEMBL8096405 0.69 EED (0.44) EEDKDM4CP2RX7MTNR1AHTR2A
SCHEMBL4130192 0.69 KDM4C (0.46) EEDKDM4CMTNR1AHTR2AHTR2C
SCHEMBL1010010 0.69 TAAR1 (0.46) EEDKDM4CMTNR1AHTR2AHTR2C
SCHEMBL11044001 0.69 EED (0.44) EEDKDM4CP2RX7MTNR1AHTR2A
SCHEMBL7771835 0.69 KDM4C (0.46) EEDKDM4CMTNR1AHTR2AHTR2C
SCHEMBL19772837 0.69 MTNR1A (0.45) EEDKDM4CMTNR1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 EED 3488/4885KDM4C 1940/4885DAO 4288/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A EED 3579/4885KDM4C 2417/4885DAO 4185/4885

“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.

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