SCHEMBL296935

SCHEMBL296935

CC(C)[C@@H](N)C(=O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.47
DPP7 Q9UHL4 14/20 0.47
DPP8 Q6V1X1 6/20 0.47
DPP9 Q86TI2 5/20 0.47
FAP Q12884 3/20 0.47
PREP P48147 2/20 0.47
PITRM1 Q5JRX3 1/20 0.47
SLC7A5 Q01650 1/20 0.42
HPGD P15428 1/20 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
SCHEMBL111112 1.00 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
SCHEMBL1951493 1.00 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL25318201 0.98 DPP4 (0.46) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL9512282 0.98 DPP4 (0.46) DPP4DPP7DPP8DPP9FAP
SCHEMBL19982029 0.98 DPP4 (0.46) DPP4DPP7DPP8DPP9FAP
SCHEMBL15203539 0.98 DPP4 (0.46) DPP4DPP7DPP8DPP9FAP
SCHEMBL2735523 0.98 DPP4 (0.46) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL9512271 0.98 DPP4 (0.46) DPP4DPP7DPP8DPP9FAP
SCHEMBL9102765 0.95 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
SCHEMBL9102749 0.95 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
US-20230234956-A1 METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC 2023-07-27 US disclosed
US-20230234956-A1 METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC 2023-07-27 US disclosed
EP-2440558-B1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL (JP) 2015-04-01 EP disclosed
EP-2440558-B1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL (JP) 2015-04-01 EP disclosed
US-8980322-B2 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8785429-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED 2014-07-22 US disclosed
US-8785429-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED 2014-07-22 US disclosed
US-8785429-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED 2014-07-22 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 US disclosed
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 US 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
WO-2010144486-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
EP-2191824-A1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation Novartis AG (CH) 2010-06-02 EP 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
US-20060177509-A1 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-10 US disclosed
EP-1607088-A1 CONTROLLED RELEASE COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2005-12-21 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 (5 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 267/4885DPP7 525/4885DPP8 1048/4885
US-20230234956-A1 METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS WEE1, WEE2, CCNE1 DPP4 4422/4885DPP7 4022/4885DPP8 3956/4885
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 DPP4 1869/4885DPP7 1377/4885DPP8 2881/4885
US-20100021539-A1 Modified Release 1-[(3-Hydroxy-Adamant-1-Ylamino)-Acetyl]-Pyrrolidine-2(S)-Carbonitrile Formulation MAST1, CMA1, SUCNR1 DPP4 195/4885DPP7 463/4885DPP8 907/4885
US-20060177509-A1 Controlled release composition ATP6AP1, NSF, ATP6V1G1 DPP4 2445/4885DPP7 2048/4885DPP8 2848/4885

“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.