SCHEMBL1980646

SCHEMBL1980646

CC(C)(C)OC(=O)N1CCC(c2cc3cc(Br)ccc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP30 Q70CQ3 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
FPR2 P25090 2/20 0.43
GPR119 Q8TDV5 2/20 0.42
HPGDS O60760 1/20 0.42
POLB P06746 1/20 0.42
PDE4B Q07343 1/20 0.41
ALK Q9UM73 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL25337924 0.91 KDM4E (0.55) KDM4EMAPTTHRBHTTMEN1
SCHEMBL1466005 0.87 MAPT (0.55) KDM4EMAPTTHRBHTTMEN1
SCHEMBL16306756 0.86 KDM4E (0.54) KDM4EMAPTTHRBHTTMEN1
SCHEMBL3141500 0.85 KDM4E (0.58) KDM4EMAPTTHRBHTTMEN1
SCHEMBL12058890 0.85 MAPT (0.53) KDM4EMAPTTHRBHTTMEN1
SCHEMBL17092646 0.84 MAPT (0.52) KDM4EMAPTTHRBHTTMEN1
SCHEMBL27878458 0.83 HRH3 (0.42) KDM4EMAPTTHRBMEN1KMT2A
SCHEMBL25941634 0.83 KDM4E (0.53) KDM4EMAPTTHRBHTTMEN1
SCHEMBL1980228 0.82 HRH4 (0.47) MEN1KMT2AHRH4HRH3FPR2
SCHEMBL1980796 0.81 TLR7 (0.53) KDM4EMAPTTHRBHTTMEN1

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
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8552032-B2 Bicyclic derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-10-08 US disclosed
EP-2513054-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA (BE) 2011-06-23 US disclosed
WO-2011075634-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 KDM4E 3534/4885MAPT 2728/4885THRB 1715/4885

“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.