SCHEMBL21138360

SCHEMBL21138360

CCOC(=O)N1CCC2(CC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 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
CYP2D6 P10635 1/20 0.49
MAPT P10636 2/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.45
NOS3 P29474 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
SCHEMBL31722730 0.92 TSHR (0.52) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL18812804 0.85 USP2 (0.53) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL20414854 0.83 GAA (0.47) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL7601879 0.83 TSHR (0.55) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL1684895 0.82
SCHEMBL10985089 0.82 ALDH1A1 (0.72) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23029326 0.82 L3MBTL1 (0.50) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL20641603 0.82 CYP2D6 (0.44) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL895343 0.82 L3MBTL1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A TSHR 4597/4885ALDH1A1 1644/4885POLB 1613/4885

“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.