SCHEMBL3694792

SCHEMBL3694792

CC(C)CN1CCCC(OC(N)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 2/20 0.41
MAOB P27338 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 3/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PIK3CD O00329 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL3694790 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6KMT2AMAOB
SCHEMBL3688386 0.83 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6MAOBSMN1; SMN2
SCHEMBL3688385 0.83 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6MAOBSMN1; SMN2
SCHEMBL3696868 0.80 BCHE (0.48) CYP3A4CYP1A2CYP2D6SMN1; SMN2BCHE
SCHEMBL3687879 0.80 BCHE (0.48) CYP3A4CYP1A2CYP2D6SMN1; SMN2BCHE
SCHEMBL22978784 0.80 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6MAOBSMN1; SMN2
SCHEMBL29117238 0.79 CHRM5 (0.46) CYP3A4CYP1A2CYP2D6MAOBSMN1; SMN2
SCHEMBL29117242 0.79 CHRM5 (0.46) CYP3A4CYP1A2CYP2D6MAOBSMN1; SMN2
SCHEMBL29042805 0.78 CHRNB2 (0.41) CYP3A4CYP1A2CYP2D6MAOBSMN1; SMN2
SCHEMBL14530201 0.77 PIK3CD (0.40) CYP3A4CYP1A2CYP2D6KMT2AMAOB

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
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.