SCHEMBL3695150

SCHEMBL3695150

CCC(C)NC(=O)OC1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.40
▸ CCNE1 P24864 14/20 0.37
▸ CDK2 P24941 14/20 0.37
▸ GSK3B P49841 10/20 0.37
▸ BCHE P06276 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL3697656 0.86 TSHR (0.39) EPHX1CCNE1CDK2CYP3A4TSHR
SCHEMBL30519023 0.83 EPHX1 (0.56) EPHX1CCNE1CDK2GSK3BBCHE
SCHEMBL23188170 0.80 EPHX1 (0.46) EPHX1CCNE1CDK2GSK3BBCHE
SCHEMBL3697937 0.79 EPHX1 (0.65) EPHX1BCHEGAATSHR
SCHEMBL30701787 0.79 CYP3A4 (0.37) EPHX1CCNE1CDK2CYP3A4TSHR
SCHEMBL3692108 0.78 EPHX1 (0.44) EPHX1TSHRCYP2C19
SCHEMBL27714015 0.77 SLC6A1 (0.40) EPHX1TSHR
SCHEMBL3694867 0.77 EPHX1 (0.49) EPHX1BCHEGAATSHR
Hydrochloric Acid SCHEMBL27694096 0.75 SLC6A1 (0.39) EPHX1TSHR
SCHEMBL3694817 0.74 GAA (0.53) EPHX1BCHEGAA

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 EPHX1 4038/4885CCNE1 3781/4885CDK2 3421/4885

“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.

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