SCHEMBL1843239

SCHEMBL1843239

CCOC(=O)c1cncc(N2CC3CN(C(=O)O)CC3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
ATM Q13315 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2064797 0.88 CHRNB2 (0.40) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL2064933 0.85 DPP4 (0.45) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL2064934 0.85 DPP4 (0.45) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL20188020 0.81 CYP2C19 (0.60) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL3538355 0.81 CYP2C9 (0.51) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL3538352 0.81 CYP2C9 (0.51) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL20193319 0.77 CYP2C19 (0.56) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL7683287 0.76 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL118352 0.75 CHRNB2 (0.57) CYP2C9CYP2C19DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL3338273 0.75 DPP4 (0.59) CYP2C9CYP2C19DPP4DPP8DPP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190704-A1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF SCHRIMPF MICHAEL R (US) 2012-07-26 US disclosed
EP-2129672-B1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LAB (US) 2011-05-18 EP disclosed
EP-2129672-A1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2009-12-09 EP disclosed
US-20080255178-A1 Azaadamantane Ester and Carbamate Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
WO-2008118742-A1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 WO 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-20080255178-A1 Azaadamantane Ester and Carbamate Derivatives and Methods of Use Thereof CYP51A1, ALKBH5, AZI2 CYP2C9 294/4885CYP2C19 453/4885DPP4 141/4885
US-20120190704-A1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF CYP51A1, ALKBH5, AZI2 CYP2C9 294/4885CYP2C19 453/4885DPP4 141/4885

“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.