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SCHEMBL6895839

SCHEMBL6895839

Cc1ccc(S(=O)(=O)OCCn2c(CC(C)NC(=O)OC(C)(C)C)nc3cc(Br)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.36
▸ AAK1 Q2M2I8 4/20 0.35
▸ ACACB O00763 1/20 0.35
▸ GNRHR P30968 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ HDAC1 Q13547 3/20 0.33
▸ THRB P10828 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL420597 0.85 GNRHR (0.48) GNRHRCYP1A2CYP2C9CYP2C19THRB
SCHEMBL6893748 0.83 HDAC1 (0.43) AAK1ACACBHDAC1HDAC8
SCHEMBL6896271 0.82 PARP1 (0.37) CNR2CYP1A2CYP2C9CYP2C19PARP1
SCHEMBL421179 0.81 GNRHR (0.43) GNRHRCYP1A2CYP2C9CYP2C19
SCHEMBL13259046 0.77 GNRHR (0.48) GNRHRCYP1A2CYP2C9CYP2C19THRB
SCHEMBL6893814 0.77 PARP1 (0.38) CNR2PARP1THRBRECQLMEN1
SCHEMBL419017 0.77 JAK2 (0.43) CNR2PARP1ALDH1A1TSHRPTGER4
SCHEMBL9931288 0.76 GNRHR (0.41) CNR2AAK1GNRHRCYP2C9CYP2C19
SCHEMBL422853 0.76 GNRHR (0.50) GNRHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10010656 0.73 CNR2 (0.36) CNR2PARP1THRBRECQL

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
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 — — US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 — — US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 — — WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 — — US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 — — US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 — — 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 (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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 CNR2 128/4885AAK1 1164/4885ACACB 3665/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CNR2 128/4885AAK1 1164/4885ACACB 3665/4885

“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.