SCHEMBL1228282

SCHEMBL1228282

CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCNCC1.c1ncncn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.46
GPR119 Q8TDV5 6/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 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
SCHEMBL1225127 0.89 USP2 (0.58) USP2SMN1; SMN2MAPK1GPR119KDM4E
SCHEMBL587550 0.89 USP2 (0.58) USP2SMN1; SMN2MAPK1GPR119KDM4E
SCHEMBL12005408 0.89 USP2 (0.58) USP2SMN1; SMN2MAPK1GPR119KDM4E
SCHEMBL8286 0.89 USP2 (0.58) USP2SMN1; SMN2MAPK1GPR119KDM4E
Benzene SCHEMBL29155321 0.88 USP2 (0.53) USP2SMN1; SMN2MAPK1GPR119KDM4E
Ammonia Solution, Strong SCHEMBL18035416 0.88 USP2 (0.56) USP2SMN1; SMN2MAPK1GPR119KDM4E
SCHEMBL2220355 0.88 USP2 (0.56) USP2SMN1; SMN2MAPK1KDM4EMAPT
Hydrochloric Acid SCHEMBL1904026 0.88 USP2 (0.56) USP2SMN1; SMN2MAPK1GPR119KDM4E
Hydrochloric Acid SCHEMBL4141237 0.88 USP2 (0.56) USP2SMN1; SMN2MAPK1GPR119KDM4E
SCHEMBL14653343 0.88 USP2 (0.56) USP2SMN1; SMN2MAPK1GPR119KDM4E

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-20170067045-A1 PEPTIDE LIBRARIES BICYCLE THERAPEUTICS LIMITED (GB) 2017-03-09 US disclosed
US-9518081-B2 Peptide libraries BICYCLE THERAPEUTICS LIMITED (GB) 2016-12-13 US disclosed
EP-2464727-B1 PEPTIDE LIBRARIES BICYCLE THERAPEUTICS LTD (GB) 2014-11-19 EP disclosed
US-20120172235-A1 PEPTIDE LIBRARIES MEDICAL RESEARCH COUNCIL (GB) 2012-07-05 US disclosed
EP-2464727-A2 PEPTIDE LIBRARIES Medical Research Council (GB) 2012-06-20 EP disclosed
WO-2011018227-A2 PEPTIDE LIBRARIES MEDICAL RESEARCH COUNCIL (GB) 2011-02-17 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-20120172235-A1 PEPTIDE LIBRARIES MICA, SPPL2B, PTMS USP2 2009/4885SMN1; SMN2 3902/4885MAPK1 3218/4885
US-20170067045-A1 PEPTIDE LIBRARIES MICA, SPPL2B, PTMS USP2 2009/4885SMN1; SMN2 3902/4885MAPK1 3218/4885

“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.