SCHEMBL12787635

SCHEMBL12787635

N#CC1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.55
DPP8 Q6V1X1 6/20 0.48
DPP9 Q86TI2 6/20 0.48
FAP Q12884 3/20 0.48
DPP7 Q9UHL4 4/20 0.45
PREP P48147 1/20 0.42
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL9713852 1.00 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL6870444 1.00 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL10722960 0.78 FFAR2 (0.54) PREP
SCHEMBL4799439 0.78 FFAR2 (0.54) PREP
SCHEMBL10794375 0.76 DPP4 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL8291743 0.76 DPP4 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL9370167 0.75 FFAR2 (0.43) PREP
SCHEMBL9732210 0.75 DPP4 (0.45) DPP4DPP8DPP9FAPDPP7
SCHEMBL9732206 0.75 DPP4 (0.45) DPP4DPP8DPP9FAPDPP7
SCHEMBL10793158 0.73 DPP4 (0.49) DPP4DPP8DPP9FAPDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288565-B2 Process for the synthesis of (2S,3AR,7AS)-octahydro-1H-indole carboxylic acid as an intermediate for trandolapril ABBOTT LABORATORIES (US) 2012-10-16 US disclosed
US-20110065930-A1 PROCESS FOR THE SYNTHESIS OF (2S,3AR,7AS)-OCTAHYDRO-1H-INDOLE CARBOXYLIC ACID AS AN INTERMEDIATE FOR TRANDOLAPRIL ABBOTT LABORATORIES (US) 2011-03-17 US disclosed
US-20110065930-A1 PROCESS FOR THE SYNTHESIS OF (2S,3AR,7AS)-OCTAHYDRO-1H-INDOLE CARBOXYLIC ACID AS AN INTERMEDIATE FOR TRANDOLAPRIL ABBOTT LABORATORIES (US) 2011-03-17 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 (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-20110065930-A1 PROCESS FOR THE SYNTHESIS OF (2S,3AR,7AS)-OCTAHYDRO-1H-INDOLE CARBOXYLIC ACID AS AN INTERMEDIATE FOR TRANDOLAPRIL TPH1, HTR1A, HTR3A DPP4 1345/4885DPP8 1580/4885DPP9 1565/4885

“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.