SCHEMBL4899544

SCHEMBL4899544

CCN(CC)CCNc1c[c]ccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
IDO1 P14902 1/20 0.41
LTK P29376 1/20 0.41
LIMK1 P53667 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DRD4 P21917 1/20 0.38
KAT2B Q92831 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL28282885 0.90 TSHR (0.45) TSHR
SCHEMBL3707096 0.83 CYP2C19 (0.41) KAT2BMEN1KMT2A
SCHEMBL4460052 0.80 MAPT (0.35) IDO1KMT2A
SCHEMBL2182874 0.79 CHEK1 (0.41) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL473377 0.78 DRD4 (0.52) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL4462101 0.77 ALDH1A1 (0.42) TSHR
SCHEMBL11048893 0.77 HTT (0.48) CHEK1PIM1IDO1LTKLIMK1
Hydrochloric Acid SCHEMBL473353 0.77 DRD4 (0.51) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL6293434 0.77 NPC1 (0.42) KMT2A
SCHEMBL17134061 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369653-A Pyridazine [6,1-b] and Quinazol derivative and its preparation method and application 桂林医学院 2019-02-22 CN disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
EP-1694638-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US disclosed
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 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 (2 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 CHEK1 4366/4885PIM1 2801/4885IDO1 751/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 CHEK1 4364/4885PIM1 2647/4885IDO1 722/4885

“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.