SCHEMBL2243589

SCHEMBL2243589

O=C(O)N1CCc2[nH]c3c(OCCN4CCCCC4)cccc3c2C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.51
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
ESR1 P03372 1/20 0.43
ABCB1 P08183 1/20 0.42
CTSK P43235 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL2248881 0.87 PARP1 (0.46) PARP1KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL2244595 0.84 LMNA (0.43) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL12364536 0.80 CTSK (0.59) CTSK
SCHEMBL14563124 0.79 CTSK (0.59) CTSK
SCHEMBL14563092 0.79 CTSK (0.59) CTSK
SCHEMBL2243420 0.78 HRH3 (0.57) PARP1DRD2DRD1DRD3TSHR
SCHEMBL2243793 0.78 CTSK (0.74) CTSK
SCHEMBL14642112 0.78 CTSK (0.74) CTSK
SCHEMBL2243047 0.78 CTSK (0.74) CTSK
SCHEMBL2243043 0.72 HDAC1 (0.40) KDM4ESMN1; SMN2ALDH1A1CTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 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 (1 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB PARP1 3099/4885KDM4E 2895/4885SMN1; SMN2 3513/4885

“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.