SCHEMBL3756225

SCHEMBL3756225

C=CCN1CCC[C@@H](OC(N)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
BCHE P06276 3/20 0.37
MAOB P27338 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL3757483 1.00 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL3756230 1.00 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL8523613 0.85 BCHE (0.40) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL3688386 0.80 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL22978784 0.80 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL3688385 0.80 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL29042805 0.78 CHRNB2 (0.41) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL11124160 0.77 CHRNB2 (0.49) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL22978800 0.77 CYP3A4 (0.39) CYP3A4CYP1A2CYP2D6BCHEMAOB
SCHEMBL3696868 0.77 BCHE (0.48) CYP3A4CYP1A2CYP2D6BCHESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331546-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYL PIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-30 US claimed
EP-2248803-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYLPIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP claimed
US-20100331546-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYL PIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-30 US disclosed
EP-2248803-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYLPIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (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-20100331546-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYL PIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR FAR1, NOTUM, CYP51A1 CYP3A4 632/4885CYP1A2 3943/4885CYP2D6 2439/4885

“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.