SCHEMBL295597

SCHEMBL295597

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nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.41
DPP8 Q6V1X1 10/20 0.41
DPP9 Q86TI2 9/20 0.41
DPP7 Q9UHL4 8/20 0.40

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
SCHEMBL4964448 1.00 DPP4 (0.41) DPP4DPP8DPP9DPP7
SCHEMBL4964447 1.00 DPP4 (0.41) DPP4DPP8DPP9DPP7
SCHEMBL5161815 0.69 GRM8 (0.43) DPP4DPP8DPP9DPP7
SCHEMBL30369747 0.68 SMN1; SMN2 (0.36) DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL8043620 0.61 SLC7A5 (0.55) DPP4DPP8DPP9DPP7
SCHEMBL215360 0.61
SCHEMBL9227569 0.61
SCHEMBL20629534 0.61
SCHEMBL21345145 0.61
SCHEMBL8313066 0.61

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
EP-2191824-B1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20110086096-A1 MODIFIED RELEASE 1- [ (3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL] -PYRROLIDINE-2 (S) -CARBONITRILE FORMULATION KOWALSKI JAMES 2011-04-14 US disclosed
US-20100021539-A1 Modified Release 1-[(3-Hydroxy-Adamant-1-Ylamino)-Acetyl]-Pyrrolidine-2(S)-Carbonitrile Formulation KOWALSKI JAMES 2010-01-28 US disclosed
EP-1898904-B1 MODIFIED RELEASE 1-[(3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL]-PYRROLIDINE-2(S)-CARBONITRILE FORMULATION NOVARTIS AG (CH) 2009-10-07 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 (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-20110086096-A1 MODIFIED RELEASE 1- [ (3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL] -PYRROLIDINE-2 (S) -CARBONITRILE FORMULATION MAST1, CACNG1, CMA1 DPP4 267/4885DPP8 1048/4885DPP9 849/4885
US-20100021539-A1 Modified Release 1-[(3-Hydroxy-Adamant-1-Ylamino)-Acetyl]-Pyrrolidine-2(S)-Carbonitrile Formulation MAST1, CMA1, SUCNR1 DPP4 195/4885DPP8 907/4885DPP9 810/4885

“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.