SCHEMBL1617758

SCHEMBL1617758

CN(C)C(=O)C(N)Cc1cscn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
OPRD1 P41143 2/20 0.43
OPRL1 P41146 1/20 0.40
GPR142 Q7Z601 6/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
SLC6A3 Q01959 2/20 0.35
PKM P14618 1/20 0.35
SYK P43405 1/20 0.34
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
CAPN1 P07384 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL1617776 1.00 DPP4 (0.45) DPP4DPP8DPP9OPRD1OPRL1
Hydrochloric Acid SCHEMBL6165347 0.98 DPP4 (0.44) DPP4DPP8DPP9OPRD1OPRL1
Hydrochloric Acid SCHEMBL6165352 0.98 DPP4 (0.44) DPP4DPP8DPP9OPRD1OPRL1
Trifluoroacetic Acid SCHEMBL2501753 0.91 DPP4 (0.41) DPP4DPP8DPP9OPRD1OPRL1
SCHEMBL5810527 0.83 OPRL1 (0.41) DPP4DPP8DPP9OPRD1OPRL1
SCHEMBL14471421 0.82 DPP4 (0.48) DPP4DPP8DPP9OPRD1OPRL1
SCHEMBL990477 0.80 DPP4 (0.49) DPP4DPP8DPP9OPRD1GPR142
SCHEMBL5273058 0.80 DPP4 (0.49) DPP4DPP8DPP9OPRD1GPR142
SCHEMBL990478 0.80 DPP4 (0.49) DPP4DPP8DPP9OPRD1GPR142
SCHEMBL5207691 0.80 DPP4 (0.49) DPP4DPP8DPP9OPRD1GPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064192-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2014-05-14 EP disclosed
US-8609706-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY DISCOVERY, INC. (US) 2013-12-17 US disclosed
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-8178690-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2011-09-01 US disclosed
US-7928244-B2 Isoxazolidine small molecules; cancer, hyperproliferation disorders; blocking antiapoptotic function INFINITY DISCOVERY, INC. (US) 2011-04-19 US disclosed
EP-2064192-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS Infinity Discovery, Inc. (US) 2009-06-03 EP disclosed
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2008-05-15 US disclosed
WO-2008024337-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-02-28 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 (3 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-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 DPP4 4212/4885DPP8 3898/4885DPP9 3158/4885
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 DPP4 4212/4885DPP8 3898/4885DPP9 3158/4885
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 DPP4 4212/4885DPP8 3898/4885DPP9 3158/4885

“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.