SCHEMBL801060

SCHEMBL801060

CC(C)(C)C(=O)[C@@H]1CCCCN1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 4/20 0.38
NOS2 P35228 2/20 0.38
FAP Q12884 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CCR2 P41597 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
PRCP P42785 1/20 0.37
SCN4A P35499 1/20 0.35
FDPS P14324 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12611220 1.00 DPP4 (0.38) DPP4DPP8DPP9NOS2FAP
SCHEMBL10001156 1.00 DPP4 (0.38) DPP4DPP8DPP9NOS2FAP
SCHEMBL860138 0.94 NOS2 (0.43) DPP4DPP8DPP9NOS2FAP
SCHEMBL800609 0.94 NOS2 (0.43) DPP4DPP8DPP9NOS2FAP
SCHEMBL14296385 0.94 NOS2 (0.43) DPP4DPP8DPP9NOS2FAP
SCHEMBL10037272 0.87 NOS3 (0.37) DPP4DPP8DPP9NOS2FAP
SCHEMBL19844516 0.87 NOS3 (0.37) DPP4DPP8DPP9NOS2FAP
SCHEMBL19844511 0.87 NOS3 (0.37) DPP4DPP8DPP9NOS2FAP
SCHEMBL27859825 0.79 NOS2 (0.42) DPP4DPP8DPP9NOS2FAP
SCHEMBL25096659 0.78 DPP4 (0.39) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833209-B2 Formulated and/or co-formulated liposome compositions containing PD-1 antagonist prodrugs useful in the treatment of cancer and methods thereof NAMMI THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 US disclosed
US-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 US disclosed
US-9381200-B2 Nitrogen containing compounds WOCKHARDT LIMITED (IN) 2016-07-05 US disclosed
US-20150328201-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2015-11-19 US disclosed
US-9132133-B2 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2015-09-15 US disclosed
US-20150174133-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2015-06-25 US disclosed
US-8987297-B2 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2015-03-24 US disclosed
US-20150005285-A1 Nitrogen containing compounds WOCKHARDT LIMITED (IN) 2015-01-01 US disclosed
US-8853197-B1 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2014-10-07 US disclosed
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2014-09-18 US disclosed
US-8822450-B2 1,6-diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LTD. (IN) 2014-09-02 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20140148431-A1 1,6- Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LIMITED (IN) 2014-05-29 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 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 (12 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-20150174133-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 DPP4 3717/4885DPP8 3804/4885DPP9 2965/4885
US-11833209-B2 Formulated and/or co-formulated liposome compositions containing PD-1 antagonist prodrugs useful in the treatment of cancer and methods thereof CD274, PDCD1LG2, PDCD1 DPP4 1304/4885DPP8 980/4885DPP9 1049/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B DPP4 4262/4885DPP8 3868/4885DPP9 3865/4885
US-20150005285-A1 Nitrogen containing compounds NOS2, NOS1, NCF1 DPP4 3717/4885DPP8 3804/4885DPP9 2965/4885
US-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 DPP4 3458/4885DPP8 2120/4885DPP9 1705/4885
US-20140148431-A1 1,6- Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections ODC1, AOC1, CASP7 DPP4 633/4885DPP8 501/4885DPP9 283/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 DPP4 4609/4885DPP8 4330/4885DPP9 4232/4885
US-20150328201-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 DPP4 3717/4885DPP8 3804/4885DPP9 2965/4885
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI DPP4 4365/4885DPP8 4519/4885DPP9 4666/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 DPP4 4652/4885DPP8 4436/4885DPP9 4328/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL DPP4 3178/4885DPP8 2940/4885DPP9 2628/4885
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 DPP4 3717/4885DPP8 3804/4885DPP9 2965/4885

“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.