SCHEMBL599158

SCHEMBL599158

CC(C)CN1CCC(CN)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
PIK3CD O00329 4/20 0.41
CXCR4 P61073 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL22752520 0.88 NCF1 (0.43) NCF1PIK3CDCXCR4HRH3HTT
SCHEMBL23560048 0.84 HRH3 (0.40) NCF1PIK3CDCXCR4HRH3
SCHEMBL21107430 0.82 PIK3CD (0.43) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL1687229 0.80 PIK3CD (0.42) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL1621207 0.80 PIK3CD (0.42) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL13683795 0.78 PIK3CD (0.44) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL24617636 0.78 NCF1 (0.46) NCF1CXCR4GRIN1GRIN2B
SCHEMBL7132641 0.77 NCF1 (0.42) NCF1CXCR4
SCHEMBL3960904 0.77 GNAI3 (0.44) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL22433532 0.77 PIK3CD (0.48) NCF1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
WO-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 WO disclosed
US-20230135894-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-07-29 US disclosed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP disclosed
EP-1440071-B1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS PFIZER (US) 2005-10-26 EP disclosed
EP-1543005-A1 IMIDAZOPYRIDINE COMPUNDS AS 5-HT4 RECEPTOR AGONISTS PFIZER INC. (US) 2005-06-22 EP disclosed
EP-1440071-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS Pfizer Japan Inc. (JP) 2004-07-28 EP disclosed
US-6749830-B2 INJECTING SAMPLE COMPRISING A PRECURSOR CHEMICAL COMPOUND, INTO INJECTION LOOP OF A HIGH PERFORMANCE LIQUID CHROMATOGRAPH (HPLC); INJECTING RADIOLABELING REAGENT INTO LOOP TO REACT AND FORM RADIOLABELED COMPOUND, ISOLATING CENTRE FOR ADDICTION AND MENTAL HEALTH (CA) 2004-06-15 US disclosed
WO-2004026869-A1 IMIDAZOPYRIDINE COMPUNDS AS 5-HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2004-04-01 WO disclosed
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators UCHIDA CHIKARA (JP) 2004-02-19 US disclosed
US-6624162-B2 5-HT4 receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, Functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. PFIZER INC. 2003-09-23 US disclosed
US-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. 2003-05-15 US disclosed
WO-2003035649-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-05-01 WO disclosed
US-20020155063-A1 Method for the synthesis of radiolabeled compounds CENTRE FOR ADDICTION AND MENTAL HEALTH (CA) 2002-10-24 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 (7 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-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 NCF1 2170/4885PIK3CD 2321/4885CXCR4 266/4885
US-20230135894-A1 MK2 DEGRADERS AND USES THEREOF MKNK2, MKRN3, DUS2 NCF1 4337/4885PIK3CD 653/4885CXCR4 4633/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NCF1 2891/4885PIK3CD 321/4885CXCR4 2507/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NCF1 2891/4885PIK3CD 321/4885CXCR4 2507/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 NCF1 2200/4885PIK3CD 2389/4885CXCR4 264/4885
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NCF1 2891/4885PIK3CD 321/4885CXCR4 2507/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NCF1 2891/4885PIK3CD 321/4885CXCR4 2507/4885

“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.