SCHEMBL1236722

SCHEMBL1236722

O[C]1CCCCCCN1.[CH2].[CH2]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.42
CRBN Q96SW2 1/20 0.42
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MPI P34949 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.33
OR51E2 Q9H255 1/20 0.32
TSHR P16473 1/20 0.30

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
Caprolactam SCHEMBL9116365 0.67 CRBN (0.89) FKBP5CRBNKDM4EGAAALDH1A1
Caprolactam SCHEMBL4016783 0.67
Caprolactam SCHEMBL9168784 0.67 CRBN (0.89) FKBP5CRBNKDM4EGAAALDH1A1
SCHEMBL1236530 0.67 FKBP5 (0.42) FKBP5CRBNKDM4EGAAHSD17B10
Caprolactam SCHEMBL28301539 0.65 CRBN (0.84) FKBP5CRBNKDM4EGAAALDH1A1
Caprolactam SCHEMBL29031904 0.65 CRBN (0.84) FKBP5CRBNKDM4EGAAALDH1A1
Caprolactam SCHEMBL27801926 0.65 CRBN (0.84) FKBP5CRBNKDM4EGAAALDH1A1
SCHEMBL2779608 0.65
SCHEMBL11226674 0.63 TSHR (0.42) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL11226687 0.63 TSHR (0.42) FKBP5CRBNKDM4EGAAPOLB

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-9301950-B2 Adamantane analogs THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-05 US claimed
US-20120270917-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-25 US claimed
WO-2011022191-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-02-24 WO claimed
US-9301950-B2 Adamantane analogs THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-05 US disclosed
US-20120270917-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-25 US disclosed
WO-2011022191-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-02-24 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 (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-20120270917-A1 ADAMANTANE ANALOGS HAVCR2, ADORA2A, ADORA1 FKBP5 3954/4885CRBN 4018/4885KDM4E 4619/4885

“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.