SCHEMBL800667

SCHEMBL800667

CC(C)C(=O)[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
PRCP P42785 1/20 0.41
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
SCN4A P35499 1/20 0.39
FAP Q12884 1/20 0.39
GLI1 P08151 2/20 0.37
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL801077 1.00 NOS2 (0.43) NOS2NOS3NOS1PRCPDPP4
SCHEMBL14443285 1.00 NOS2 (0.43) NOS2NOS3NOS1PRCPDPP4
SCHEMBL26780565 0.94 FDPS (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL420953 0.94 FDPS (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL420946 0.94 FDPS (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL23720635 0.89
SCHEMBL421836 0.89
SCHEMBL22436137 0.89
Trifluoroacetic Acid SCHEMBL5411611 0.88 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
Trifluoroacetic Acid SCHEMBL5411607 0.88 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365577-A1 Photodynamic Therapy and Diagnosis RMW CHO GROUP LIMITED (HK) 2023-11-16 US disclosed
US-20230365577-A1 Photodynamic Therapy and Diagnosis RMW CHO GROUP LIMITED (HK) 2023-11-16 US disclosed
US-20230348518-A1 HELICASE INHIBITORS FOR TREATMENT OF MEDICAL DISORDERS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-11-02 US disclosed
US-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS PHARMA MAR, S.A. (ES) 2023-05-25 US disclosed
WO-2023086557-A1 NUCLEOSIDES FOR THE TREATMENT OF DNA VIRUS INFECTIONS EMORY UNIVERSITY (US) 2023-05-19 WO disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
US-20220388980-A1 QUINOLINE INHIBITORS OF RAD52 AND METHODS OF USE UNIV DREXEL (US) 2022-12-08 US disclosed
US-11331331-B2 N4-hydroxycytidine and derivatives and anti-viral uses related thereto EMORY UNIVERSITY (US) 2022-05-17 US disclosed
US-20220017535-A1 INHIBITORS OF ALDOSE REDUCTASE BARCLAYS BANK PLC (GB) 2022-01-20 US disclosed
US-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-20 US disclosed
WO-2009061597-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2009-05-14 WO disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
EP-1627880-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2008-10-15 EP disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-7304078-B2 Thrombosis; cardiovascular disorders; restenosis; hypotensive agents; antiarrhythmia agents; antiinflamamtroy agents; central nervous system disorders SCHERING CORPORATION (US) 2007-12-04 US disclosed
US-20070270439-A1 THROMBIN RECEPTOR ANTAGONISTS SCHERING CORPORATION 2007-11-22 US disclosed
US-20070179187-A1 THROMBIN RECEPTOR ANTAGONISTS SCHERING CORPORATION 2007-08-02 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (15 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-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 NOS2 1750/4885NOS3 1746/4885NOS1 2820/4885
US-11331331-B2 N4-hydroxycytidine and derivatives and anti-viral uses related thereto ENTPD1, NME2, NME1 NOS2 1898/4885NOS3 1753/4885NOS1 1633/4885
US-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS OAT, MAVS, HAVCR2 NOS2 1660/4885NOS3 1045/4885NOS1 2059/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NOS2 3457/4885NOS3 2093/4885NOS1 3677/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NOS2 3457/4885NOS3 2093/4885NOS1 3677/4885
US-20220017535-A1 INHIBITORS OF ALDOSE REDUCTASE PMM2, DPM1, BPGM NOS2 2106/4885NOS3 2746/4885NOS1 2181/4885
US-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO ENTPD1, NME2, NME1 NOS2 1898/4885NOS3 1753/4885NOS1 1633/4885
US-20230348518-A1 HELICASE INHIBITORS FOR TREATMENT OF MEDICAL DISORDERS RECQL, DDX21, DDX41 NOS2 4636/4885NOS3 4653/4885NOS1 4572/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 NOS2 1639/4885NOS3 1939/4885NOS1 2843/4885
US-20070179187-A1 THROMBIN RECEPTOR ANTAGONISTS TBXA2R, BDKRB2, AGTR2 NOS2 2674/4885NOS3 1047/4885NOS1 3548/4885
US-20220388980-A1 QUINOLINE INHIBITORS OF RAD52 AND METHODS OF USE RAD52, RECQL, RAD50 NOS2 3254/4885NOS3 4403/4885NOS1 3977/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 NOS2 306/4885NOS3 238/4885NOS1 271/4885
US-20070270439-A1 THROMBIN RECEPTOR ANTAGONISTS TBXA2R, BDKRB2, AGTR2 NOS2 2597/4885NOS3 1001/4885NOS1 3461/4885
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 NOS2 1066/4885NOS3 1151/4885NOS1 1905/4885
US-20230365577-A1 Photodynamic Therapy and Diagnosis PPOX, PPIF, ALAD NOS2 3480/4885NOS3 4008/4885NOS1 4309/4885

“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.