SCHEMBL6893748

SCHEMBL6893748

CC(Cc1nc2cc(Br)ccc2n1CCO)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.43
HDAC8 Q9BY41 4/20 0.43
AAK1 Q2M2I8 7/20 0.39
ACACB O00763 1/20 0.39
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSB P07858 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL9968760 0.86 L3MBTL1 (0.41) HDAC1HDAC8AAK1TBXA2R
SCHEMBL6895839 0.83 CNR2 (0.36) HDAC1HDAC8AAK1ACACB
SCHEMBL421355 0.82 GNRHR (0.48) HDAC1HDAC8
SCHEMBL10298786 0.78 HDAC1 (0.54) HDAC1HDAC8
SCHEMBL418842 0.76 ALDH1A1 (0.43)
SCHEMBL12636229 0.75 HDAC6 (0.45) HDAC1AAK1TBXA2R
SCHEMBL10176988 0.74 GNRHR (0.48) HDAC1
SCHEMBL9931288 0.73 GNRHR (0.41) AAK1TBXA2R
SCHEMBL9931306 0.73 KDM4E (0.46) HDAC1HDAC8TBXA2R
SCHEMBL6896313 0.72 GNRHR (0.47) HDAC1AAK1

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 5 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-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-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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 HDAC1 791/4885HDAC8 703/4885AAK1 1164/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HDAC1 791/4885HDAC8 703/4885AAK1 1164/4885

“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.