SCHEMBL5986980

SCHEMBL5986980

CCOC(=O)N1CCC(F)(F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 6/20 0.52
POLB P06746 4/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 3/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.44
APP P05067 1/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL31419905 0.83 TSHR (0.49) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL35210830 0.82 L3MBTL1 (0.36) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL21138360 0.82 TSHR (0.55) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL7601879 0.82 TSHR (0.55) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL24606816 0.81 TSHR (0.50) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL10985089 0.80 ALDH1A1 (0.72) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL1684895 0.80
SCHEMBL895343 0.80 L3MBTL1 (0.55) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3632294 0.79 CYP1A2 (0.56) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12424654 0.79 TSHR (0.47) TSHRALDH1A1POLBHTTSMN1; SMN2

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 11 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-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-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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 TSHR 772/4885ALDH1A1 288/4885POLB 805/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 TSHR 1316/4885ALDH1A1 484/4885POLB 947/4885

“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.