SCHEMBL6896313

SCHEMBL6896313

CC(O)Cn1c(CCNC(=O)OC(C)(C)C)nc2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.47
BRD4 O60885 7/20 0.40
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
GAA P10253 1/20 0.38
AAK1 Q2M2I8 2/20 0.38
STING1 Q86WV6 1/20 0.37
PPARG P37231 1/20 0.37
NQO2 P16083 1/20 0.37
HDAC1 Q13547 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL10010384 0.87 GNRHR (0.47) GNRHRBRD4ALDH1A1GFERGAA
SCHEMBL421355 0.86 GNRHR (0.48) GNRHRBRD4ALDH1A1GFERGAA
SCHEMBL10176988 0.86 GNRHR (0.48) GNRHRBRD4ALDH1A1GFERSTING1
SCHEMBL12636229 0.79 HDAC6 (0.45) GNRHRBRD4GAAAAK1STING1
SCHEMBL10177017 0.78 NPC1 (0.46) GNRHRALDH1A1GFERPPARGTP53
SCHEMBL418842 0.78 ALDH1A1 (0.43) GNRHRBRD4ALDH1A1GFERGAA
SCHEMBL9968760 0.78 L3MBTL1 (0.41) GNRHRAAK1STING1PPARGHDAC1
SCHEMBL10298794 0.77 PPARG (0.50) PPARGHDAC1TP53THRB
SCHEMBL420597 0.77 GNRHR (0.48) GNRHRSTING1TP53THRB
SCHEMBL1542762 0.75 BRD4 (0.53) GNRHRBRD4ALDH1A1GAASTING1

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
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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

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 GNRHR 500/4885BRD4 519/4885ALDH1A1 2544/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GNRHR 500/4885BRD4 519/4885ALDH1A1 2544/4885

“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.