SCHEMBL8100771

SCHEMBL8100771

c1ccc2c(c1)c1c(n2CC2CC2)CCNC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
BRD4 O60885 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
HTR6 P50406 2/20 0.40
SIRT1 Q96EB6 1/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Hydrochloric Acid SCHEMBL31078368 0.99 HDAC1 (0.51) HDAC1HDAC6HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL2241958 0.99 HDAC1 (0.51) HDAC1HDAC6HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL31078359 0.93 HDAC1 (0.49) HDAC1HDAC6HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL31078231 0.90 HDAC1 (0.47) HDAC1HDAC6HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL31078547 0.85 HDAC1 (0.45) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL2357949 0.81 HDAC1 (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL30873508 0.81 HDAC1 (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL2192008 0.79 HDAC1 (0.56) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL8025072 0.79 HDAC1 (0.69) HDAC1HDAC6CA1CA2HTR6
SCHEMBL2187576 0.78 HDAC1 (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E

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
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-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 WO disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 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 (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 HDAC1 340/4885HDAC6 121/4885HTR2A 4655/4885

“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.