SCHEMBL4173780

SCHEMBL4173780

CN(c1ccc(Br)cc1)C1CCCCC1.[MgH2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TRPV1 Q8NER1 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ABCB11 O95342 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
JAK3 P52333 5/20 0.36
JAK1 P23458 4/20 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
SCHEMBL5706202 1.00 MEN1 (0.42) MEN1KMT2ATRPV1HRH4HRH3
SCHEMBL4168246 0.98 MEN1 (0.43) MEN1KMT2ATRPV1HRH4HRH3
Methylamine SCHEMBL28816853 0.94 MEN1 (0.41) MEN1KMT2ATRPV1HRH4HRH3
Methylamine SCHEMBL28000605 0.93 MEN1 (0.40) MEN1KMT2ATRPV1HRH4HRH3
SCHEMBL3717754 0.88 CYP2A6 (0.36) MEN1KMT2AHRH3SLC6A4HTT
SCHEMBL4485887 0.88 HRH4 (0.44) MEN1KMT2ATRPV1HRH4HRH3
SCHEMBL7793337 0.80 ALDH1A1 (0.44) MEN1KMT2ATRPV1HRH4HRH3
SCHEMBL25353462 0.79 KDM1A (0.38) MEN1KMT2AKCNH2LMNAHTT
SCHEMBL26011715 0.79 NMT1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL15013072 0.78 TRPA1 (0.49) TRPV1HRH4HRH3KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111781-A1 Use of Cymipristone Type Compounds in Aids Treatment SHANGHAI THREE-ALLIANCE BIOTECHNOLOGIES CO., LTD. (CN) 2009-04-30 US disclosed
EP-1911450-A1 USE OF CYMIPRISTONES FOR TREATING AIDS Shanghai Three-alliance Biotechnologies Co., Ltd. (CN) 2008-04-16 EP disclosed
CN-1899289-A Use of symipristone compound for treating AIDS SANHE BIOLOG TECHNOLOGY CO LTD (CN) 2007-01-24 CN 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 (1 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-20090111781-A1 Use of Cymipristone Type Compounds in Aids Treatment NR3C1, NR3C2, NR5A1 MEN1 3687/4885KMT2A 1179/4885TRPV1 1724/4885

“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.