SCHEMBL2764302

SCHEMBL2764302

O=C1NCc2ccccc2C2CC12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
ANPEP P15144 2/20 0.35
MYC P01106 2/20 0.35
SRD5A1 P18405 2/20 0.34
TYRO3 Q06418 1/20 0.34
NTRK2 Q16620 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL862204 0.82 HTR2A (0.41) CA12CA9MEN1CYP3A4CYP2D6
SCHEMBL2599096 0.82 HTR2A (0.41) CA12CA9MEN1CYP3A4CYP2D6
SCHEMBL862205 0.82 HTR2A (0.41) CA12CA9MEN1CYP3A4CYP2D6
SCHEMBL2599095 0.82 HTR2A (0.41) CA12CA9MEN1CYP3A4CYP2D6
SCHEMBL4992475 0.76 ANPEP (0.53) CA12CA9MEN1CYP3A4CYP2D6
Bromide SCHEMBL4989971 0.74 ANPEP (0.52) CA12CA9MEN1CYP3A4CYP2D6
Bromide SCHEMBL30630619 0.74 ANPEP (0.52) CA12CA9MEN1CYP3A4CYP2D6
SCHEMBL3282814 0.74 HDAC4 (0.40) CA12CA9MEN1CYP3A4CYP2D6
SCHEMBL1803869 0.73 SIGMAR1 (0.45) ALDH1A1
SCHEMBL1803867 0.73 SIGMAR1 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 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 (5 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 CA12 33/4885CA9 73/4885MEN1 1376/4885
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CA12 26/4885CA9 19/4885MEN1 1818/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 CA12 26/4885CA9 19/4885MEN1 1841/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CA12 26/4885CA9 19/4885MEN1 1841/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 CA12 26/4885CA9 20/4885MEN1 1832/4885

“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.