SCHEMBL8106969

SCHEMBL8106969

COCCn1c2c(c3ccccc31)CNCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIRT2 Q8IXJ6 5/20 0.47
SIRT1 Q96EB6 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
PTGER4 P35408 1/20 0.42
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41

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 SCHEMBL2244306 0.99 HDAC1 (0.52) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL12369406 0.90 HDAC1 (0.53) HDAC1HDAC6HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL2274539 0.88 KDM4E (0.53) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL2192008 0.82 HDAC1 (0.56) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL2357949 0.82 HDAC1 (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL30873508 0.82 HDAC1 (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL14372622 0.81 HTR2C (0.51) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL14963889 0.81 ALB (0.55) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL176660 0.81 SIRT2 (0.66) HDAC1HDAC6HTR2AHTR2CKDM4E
SCHEMBL8107198 0.79 HDAC1 (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.