SCHEMBL2461601

SCHEMBL2461601

CC(C)CC(N)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC6A2 P23975 7/20 0.33
SLC6A4 P31645 7/20 0.33
SLC6A3 Q01959 2/20 0.33
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL15980647 0.84
SCHEMBL2633896 0.79 TSHR (0.39) DPP4ALDH1A1TSHRMAPK1ANPEP
SCHEMBL172567 0.79 ALDH1A1 (0.39) DPP4ALDH1A1TSHRMAPK1ANPEP
SCHEMBL13995117 0.79 ALDH1A1 (0.39) DPP4ALDH1A1TSHRMAPK1ANPEP
SCHEMBL13995101 0.77 EPHX1 (0.41) DPP4ALDH1A1TSHRMAPK1
SCHEMBL13995102 0.77 EPHX1 (0.41) DPP4ALDH1A1TSHRMAPK1
SCHEMBL24838517 0.77 DPP4 (0.44) DPP4CPN1CPB2SLC6A2SLC6A4
SCHEMBL2465728 0.77 DPP4 (0.44) DPP4CPN1CPB2SLC6A2SLC6A4
SCHEMBL4290459 0.75 DPP4 (0.46) DPP4CPN1CPB2ANPEPERAP2
SCHEMBL22798913 0.74 DPP4 (0.42) DPP4CPN1CPB2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019003141-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
EP-1948663-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed
EP-0922048-A1 PROCESS FOR THE PREPARATION OF N- (1-?n BUTYL-4-PIPERIDYL)METHYL] -3,4-DIHYDRO -2H- 1,3] OXAZINO 3,2-a] INDOLE-10-CARBOXAMIDE AND SALTS AND INTERMEDIATES IN THE PROCESS SMITHKLINE BEECHAM PLC (GB) 1999-06-16 EP disclosed
WO-1998007728-A1 PROCESS FOR THE PREPARATION OF N-[(1-nBUTYL-4-PIPERIDYL)METHYL] -3,4-DIHYDRO -2H-[1,3] OXAZINO[3,2-a] INDOLE-10-CARBOXAMIDE AND SALTS AND INTERMEDIATES IN THE PROCESS SMITHKLINE BEECHAM PLC (GB) 1998-02-26 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 (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-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators CSNK1A1, CSNK2A1, CSNK2A2 DPP4 1268/4885ALDH1A1 4176/4885TSHR 1210/4885

“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.