SCHEMBL7601879

SCHEMBL7601879

CCOC(=O)N1CCC(C)(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 3/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 3/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44

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
SCHEMBL17177194 0.90 TSHR (0.48) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL895343 0.86 L3MBTL1 (0.55) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL12086321 0.84 TSHR (0.52) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL1747808 0.84 TSHR (0.52) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL21138360 0.83 TSHR (0.55) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL1268057 0.82 TSHR (0.50) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL30182246 0.82 TSHR (0.50) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL1684895 0.82
SCHEMBL10985089 0.82 ALDH1A1 (0.72) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL5986980 0.82 TSHR (0.53) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP claimed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
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-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885ALDH1A1 2356/4885POLB 4473/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A TSHR 4597/4885ALDH1A1 1644/4885POLB 1613/4885
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.