SCHEMBL12409407

SCHEMBL12409407

CO[C@H]1CC[C@H](N(C)C(C)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCL2A1 Q16548 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL12409408 1.00 DPP4 (0.35) DPP4DPP8DPP9DPP7EPHX2
SCHEMBL5987260 0.88 BCL2A1 (0.38) DPP4DPP8DPP9DPP7EPHX2
SCHEMBL5506106 0.84
SCHEMBL3227480 0.83 ALDH1A1 (0.36) EPHX2ALDH1A1ATM
SCHEMBL12548360 0.82 JAK1 (0.36) EPHX2ALDH1A1ATM
SCHEMBL12549256 0.82 JAK1 (0.36) EPHX2ALDH1A1ATM
SCHEMBL11042893 0.82 PARP1 (0.32) EPHX2ALDH1A1
SCHEMBL21592439 0.81 DPP4 (0.31) DPP4DPP8DPP9DPP7BCL2A1
SCHEMBL12549310 0.79 MEN1 (0.41) ALDH1A1
SCHEMBL12548943 0.79 MEN1 (0.41) ALDH1A1

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-8399461-B2 Bicyclic heterocycles, medicaments containing said compounds, use thereof, and method for production of same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-19 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110136805-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 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 (2 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-20110136805-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BPHL, CYP11B2, CYP11B1 DPP4 3303/4885DPP8 3296/4885DPP9 3500/4885
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B DPP4 751/4885DPP8 654/4885DPP9 493/4885

“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.