SCHEMBL7601583

SCHEMBL7601583

CCOC(=O)N1CCCOC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
RECQL P46063 1/20 0.54
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3635136 0.78 TSHR (0.63) TSHRRECQLPOLBLMNAALDH1A1
SCHEMBL2223429 0.78 TSHR (0.63) TSHRRECQLPOLBLMNAALDH1A1
SCHEMBL2745877 0.78
SCHEMBL10199538 0.76 USP2 (0.61) TSHRRECQLALDH1A1SMN1; SMN2HPGD
SCHEMBL21149314 0.76 ALDH1A1 (0.41) TSHRRECQLALDH1A1SMN1; SMN2HPGD
SCHEMBL1246220 0.76 TSHR (0.96) TSHRRECQLPOLBLMNAALDH1A1
SCHEMBL675456 0.76 ALDH1A1 (0.61) TSHRRECQLPOLBLMNAALDH1A1
SCHEMBL8710504 0.76 ALDH1A1 (0.61) TSHRRECQLPOLBLMNAALDH1A1
SCHEMBL11402027 0.76 ALDH1A1 (0.61) TSHRRECQLPOLBLMNAALDH1A1
SCHEMBL21138457 0.76 ALDH1A1 (0.61) TSHRRECQLPOLBLMNAALDH1A1

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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 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 (3 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 TSHR 772/4885RECQL 906/4885POLB 805/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 TSHR 1316/4885RECQL 1414/4885POLB 947/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TSHR 634/4885RECQL 2034/4885POLB 2569/4885

“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.